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blood-brain barrier permeability，neurodegenerative diseases

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Amino acid Transporter (1) AMPK (1) Amylases (1) Apoptosis (2) ATP Synthase (1) Bcr-Abl (1) Cholinesterase (ChE) (2) Cytochrome P450 (1) Drug Derivative (1) DYRK (1) Endogenous Metabolite (6) Ferroptosis (1) GABA Receptor (7) GSK-3 (2) HDAC (1) iGluR (6) Isotope-Labeled Compounds (4) JAK (1) Lipase (1) Lipoxygenase (1) LRRK2 (1) Microtubule/Tubulin (2) Monoamine Oxidase (2) NF-κB (2) NO Synthase (6) Opioid Receptor (2) p38 MAPK (2) PARP (1) Phosphodiesterase (PDE) (1) Piezo Channel (1) Reference Standards (2) SOD (2) Src (1) STAT (2) Tau Protein (1) Toll-like Receptor (TLR) (2) α-synuclein (3)
By Research Areas:	Cancer (6) Cardiovascular Disease (3) Infection (2) Inflammation/Immunology (1) Metabolic Disease (6) Neurological Disease (20)

By Targets:

Amino acid Transporter (1)

AMPK (1)

Amylases (1)

Apoptosis (2)

ATP Synthase (1)

Bcr-Abl (1)

Cholinesterase (ChE) (2)

Cytochrome P450 (1)

Drug Derivative (1)

DYRK (1)

Endogenous Metabolite (6)

Ferroptosis (1)

GABA Receptor (7)

GSK-3 (2)

HDAC (1)

iGluR (6)

Isotope-Labeled Compounds (4)

JAK (1)

Lipase (1)

Lipoxygenase (1)

LRRK2 (1)

Microtubule/Tubulin (2)

Monoamine Oxidase (2)

NF-κB (2)

NO Synthase (6)

Opioid Receptor (2)

p38 MAPK (2)

PARP (1)

Phosphodiesterase (PDE) (1)

Piezo Channel (1)

Reference Standards (2)

SOD (2)

Src (1)

STAT (2)

Tau Protein (1)

Toll-like Receptor (TLR) (2)

α-synuclein (3)

By Research Areas:

Cancer (6)

Cardiovascular Disease (3)

Infection (2)

Inflammation/Immunology (1)

Metabolic Disease (6)

Neurological Disease (20)

Inhibitors & Agonists

Screening Libraries

Natural
Products

Isotope-Labeled Compounds

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-B0504S

Creatinine-d3 5 Publications Verification NSC13123-d₃	Isotope-Labeled Compounds Endogenous Metabolite iGluR GABA Receptor	Metabolic Disease Cancer
Creatinine-d₃ is a deuterium labeled Creatinine. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-B0504

Creatinine 5+ Cited Publications NSC13123	Endogenous Metabolite GABA Receptor iGluR	Infection Neurological Disease Metabolic Disease Cancer
Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-B0504S2

Creatinine-d5 NSC13123-d₅	Isotope-Labeled Compounds Endogenous Metabolite iGluR GABA Receptor	Metabolic Disease
Creatinine-d₅ is the deuterium labeled Creatinine. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-W008646

7,8-Dihydro-L-biopterin 1 Publications Verification	SOD Apoptosis NO Synthase	Cardiovascular Disease Neurological Disease
7,8-Dihydro-L-biopterin is a NOS uncoupling inducer with blood-brain barrier permeability, and it is a reduced non-conjugated pteridine. 7,8-Dihydro-L-biopterin is the main metabolite of 4-amino-tetrahydro-L-biopterin, and it undergoes photooxidation to form biopterin. 7,8-Dihydro-L-biopterin promotes the conversion of nitric oxide synthase to a superoxide-producing form, thereby increasing oxidative stress levels in the renal outer medulla and inducing apoptosis. 7,8-Dihydro-L-biopterin is sensitive to the inhibitory effect of SOD, and it can be applied to research related to salt-sensitive hypertension, moderate to severe traumatic brain injury, and neurodegenerative diseases .

HY-135714

Bavarostat EKZ-001	HDAC Microtubule/Tubulin	Neurological Disease Cancer
Bavarostat (EKZ-001) is a blood-brain barrier-permeable, potent HDAC6 inhibitor and PET radiotracer, with an IC₅₀ as low as 17 nM against human HDAC6. Bavarostat can be labeled with ¹⁸F and used as a probe to map HDAC6 distribution and measure target occupancy in the brains of non-human primates. Bavarostat also selectively modulates tubulin acetylation, but not histone acetylation. Bavarostat is applicable for research on Alzheimer's disease, other neurodegenerative disorders, and cancers .

HY-126411

Peonidin-3-O-galactoside chloride	Lipase ATP Synthase	Others
Peonidin-3-O-galactoside chloride is an anthocyanin with antioxidant properties and blood-brain barrier permeability. Peonidin-3-O-galactoside chloride inhibits pancreatic lipase, with an IC₅₀ value of 23.2 μg/mL against porcine pancreatic lipase. Peonidin-3-O-galactoside chloride mediates neuroprotection, regulates glucose metabolism, protects cells from high glucose-induced damage, promotes glucose uptake and increases ATP production. Peonidin-3-O-galactoside (chloride) can be used in the research of obesity and neurodegenerative diseases .

HY-B0504R

Creatinine (Standard) NSC13123 (Standard)	Reference Standards Endogenous Metabolite iGluR GABA Receptor	Metabolic Disease Cancer
Creatinine (Standard) is the analytical standard of Creatinine. This product is intended for research and analytical applications. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-161683

Tyk2-IN-19	JAK	Neurological Disease
Tyk2-IN-19 (Compound 1) is an orally active and blood-brain barrier (BBB) permeable Tyk2 inhibitor. Tyk2-IN-19 can be used for study of neurodegenerative diseases .

HY-B0504S1

Creatinine-13C NSC13123-¹³C	Isotope-Labeled Compounds Endogenous Metabolite iGluR GABA Receptor	Metabolic Disease
Creatinine- ¹³C is the ¹³C-labeled Creatinine. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-14197

Clorgyline Maximum Cited Publications 8 Publications Verification M&B 9302	Monoamine Oxidase	Neurological Disease
Clorgyline (M&B 9302) is an orally active, blood-brain barrier permeable and selective monoamine oxidase A (MAO-A) inhibitor. Clorgyline's selective inhibition of MAO-A leads to reduced metabolism of neurotransmitters such as serotonin (5-hydroxytryptamine), which accumulates in the brain. Clorgyline can be used in the study of depression and neurodegenerative diseases .

HY-132845

Utreloxastat PTC857	α-synuclein Cytochrome P450 Ferroptosis Lipoxygenase	Neurological Disease
Utreloxastat (PTC857) is an orally active and blood-brain barrier-permeable 15-lipooxygenase inhibitor. Utreloxastat is a weak inhibitor of CYP1A2 and 2B6 with an IC₅₀ of >5.3 μM. Utreloxastat reduces oxidative stress and inhibits the consumption of reduced glutathione and ferroptosis. Utreloxastat can be used in the study of neurodegenerative diseases characterized by high levels of oxidative stress and mitochondrial pathology, such as amyotrophic lateral sclerosisc .

HY-101318

β-Funaltrexamine hydrochloride 2 Publications Verification β-FNA hydrochloride	Opioid Receptor p38 MAPK STAT NF-κB NO Synthase Toll-like Receptor (TLR)	Cardiovascular Disease Neurological Disease
β-Funaltrexamine (β-FNA) hydrochloride is a blood-brain barrier-permeable, selective and irreversible μ-opioid receptor antagonist with immunomodulatory, anti-inflammatory and neuroprotective activities. β-Funaltrexamine hydrochloride inhibits p38 MAPK and TLR4 signaling by blocking μ-opioid receptors, and reduces the transcriptional activities of NF-κB, AP-1, CREB and Stat. Furthermore, β-Funaltrexamine hydrochloride inhibits iNOS activation and pro-inflammatory microglial polarization, converting microglia to an anti-inflammatory phenotype, thereby downregulating neuroinflammation and ameliorating neuronal degeneration. β-Funaltrexamine hydrochloride is widely applicable to research related to stroke, cerebral ischemia/reperfusion injury and neurodegenerative diseases .

HY-W074537

P7-2104	Phosphodiesterase (PDE)	Neurological Disease
P7-2104 is a blood-brain barrier-permeable, selective PDE7A inhibitor with an IC₅₀ of 31 nM. P7-2104 shows selectivity for hERG channels and most CYP450 subtypes. P7-2104 can be used for PDE7-targeted PET neuroimaging studies and research related to neurodegenerative diseases, when labeled with ¹¹C or ¹⁸F .

HY-160831

PQQ-trimethylester 1 Publications Verification PQQ-TME	α-synuclein	Neurological Disease
PQQ-trimethylester (PQQ-TME) is a synthetic compound that is a trimethylester derivative of pyrroloquinoline quinone (PQQ). PQQ-trimethylester has twice the blood-brain barrier permeability of PQQ (HY-100196) in vitro. In addition, PQQ-trimethylester shows strong inhibitory activity against α-synuclein, amyloid β1-42 (Aβ1-42) and prion protein fibrillation. PQQ-trimethylester can be used in the study of neurodegenerative diseases .

HY-W338446

BF-170	Tau Protein	Neurological Disease
BF-170 is a selective tau fibril binding agent with an EC₅₀ of 221 nM. It exhibits good blood-brain barrier permeability, and after intravenous injection in mice, the concentration in brain tissue reaches 9.1% ID/g within 2 minutes (with a brain clearance rate of 0.25% ID/g after 30 minutes). BF-170 can be used as a probe for tau protein pathology imaging in Alzheimer's disease (AD). It plays an important role in early-stage AD research and holds potential for imaging studies of tau-related neurodegenerative diseases .

HY-W008646R

7,8-Dihydro-L-biopterin (Standard)	Reference Standards SOD Apoptosis NO Synthase	Others
NADH (disodium salt) (Standard) is the analytical standard of NADH (disodium salt). This product is intended for research and analytical applications. 7,8-Dihydro-L-biopterin is a NOS uncoupling inducer with blood-brain barrier permeability, and it is a reduced non-conjugated pteridine. 7,8-Dihydro-L-biopterin is the main metabolite of 4-amino-tetrahydro-L-biopterin, and it undergoes photooxidation to form biopterin. 7,8-Dihydro-L-biopterin promotes the conversion of nitric oxide synthase to a superoxide-producing form, thereby increasing oxidative stress levels in the renal outer medulla and inducing apoptosis. 7,8-Dihydro-L-biopterin is sensitive to the inhibitory effect of SOD, and it can be applied to research related to salt-sensitive hypertension, moderate to severe traumatic brain injury, and neurodegenerative diseases .

HY-B0504S5

Creatinine-15N NSC13123-¹⁵N	Isotope-Labeled Compounds Endogenous Metabolite iGluR GABA Receptor	Metabolic Disease Cancer
Creatinine- ¹⁵N (NSC13123- ¹⁵N) is the ¹⁵N-labeled Creatinine (HY-B0504). Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-161163

IND 1316	AMPK	Neurological Disease
IND 1316 is an orally active, blood-brain barrier permeable AMPK activator with neuroprotective effects in animal models of Huntington's disease. IND 1316 can be used for research on neurodegenerative diseases, such as Alzheimer's disease and Parkinson's disease .

HY-162693

AChE-IN-68	Cholinesterase (ChE)	Neurological Disease
AChE-IN-68 (compound 2l) is a potent and selective AChE inhibitor, with an IC₅₀ value of 0.040 μM. AChE-IN-68 has high blood-brain barrier permeability. AChE-IN-68 can be used for the research of neurodegenerative disorders, particularly Alzheimer’s disease .

HY-172460

AChE/BChE/MAO-B-IN-5	Cholinesterase (ChE) Monoamine Oxidase	Neurological Disease
AChE/BChE/MAO-B-IN-5 is a multitarget inhibitor of cholinesterases (AChE and BChE) and monoamine oxidase MAO-B with blood–brain barrier permeability. It exhibits IC₅₀ values of 0.24 µM, 6.29 µM, and 0.11 µM against AChE, BChE, and MAO-B, respectively. AChE/BChE/MAO-B-IN-5 shows promise for research in the field of neurodegenerative diseases such as Alzheimer's disease .

HY-W424851

DPQ hydrochloride 6,7-Dimethoxy-2-(1-piperazinyl)-4-quinazolinamine hydrochloride	PARP	Infection Inflammation/Immunology
DPQ hydrochloride is a blood-brain barrier permeable and selective PARP-1 inhibitor that blocks PARP-1-mediated DNA damage repair and NAD ⁺/ATP consumption, thereby inhibiting excessive inflammatory responses. DPQ hydrochloride inhibits NF-κB pathway activation, reduces the expression of pro-inflammatory factors (such as TNF-α, IL-6) and oxidative stress. DPQ hydrochloride can be used in inflammation-related studies of acute lung injury, myocardial infarction, and neurodegenerative diseases .

HY-161461

E234G HYPE-IN-1	Amylases	Neurological Disease
E234G HYPE-IN-1 (Compound I2.10) is an inhibitor of AMPylation directed by the Huntingtin-interacting protein E (HYPE), possessing low micromolar bioactivity, low cytotoxicity, and blood-brain barrier permeability. E234G HYPE-IN-1 can inhibit the AMPylation of B-cell immunoglobulin-binding protein (BiP), the primary substrate of HYPE. E234G HYPE-IN-1 is suitable for development as a HYPE-specific therapeutic agent for clinical conditions such as neurodegenerative diseases and diabetes .

HY-181743

Piezo1 agonist 2	Piezo Channel Amino acid Transporter Drug Derivative	Neurological Disease
Piezo1 agonist 2 (Compound PD2) is a blood-brain barrier-permeable Piezo1 agonist and Jedi2 (HY-131018) conjugate that utilizes LAT1. Piezo1 agonist 2 releases Jedi2 in mice. Piezo1 agonist 2 can be used for the research of neurodegenerative diseases .

HY-180938

Fyn-IN-1	Src GSK-3 NO Synthase	Neurological Disease
Fyn-IN-1 (Compound 43) is a selective, blood-brain barrier permeable Fyn and GSK-3β inhibitor with IC₅₀ values of 0.044 μM and 0.61 μM, respectively. Fyn-IN-1 significantly downregulates the pro-inflammatory enzyme iNOS. Fyn-IN-1 can be used in the research of neurodegenerative diseases .

HY-181046

Multi-kinase-IN-14	α-synuclein Bcr-Abl GSK-3 DYRK LRRK2 Microtubule/Tubulin	Neurological Disease
Multi-kinase-IN-14 is an orally active and blood-brain barrier-permeable multi-kinase inhibitor. Multi-kinase-IN-14 reduces the excessive phosphorylation of α-synuclein by inhibiting four kinases (ABL1, DYRK1A, GSK3β, and LRRK2) and stabilizing microtubules. Multi-kinase-IN-14 is applicable for research on neurodegenerative diseases such as Parkinson’s disease and Alzheimer’s disease .

HY-181711

nNOS-IN-6	NO Synthase	Neurological Disease Cancer
nNOS-IN-6 is a human neuronal nitric oxide synthase (hnNOS) inhibitor with a human hnNOS K_i of 16 nM, ~1800-fold selectivity over human eNOS, ~2900-fold selectivity over human iNOS, and a rat nNOS K_i of 34 nM.nNOS-IN-6 exhibits high effective permeability in PAMPA-BBB assays, crosses the blood-brain barrier, and shows sustained systemic exposure, low clearance, and robust brain penetration in mouse in vivo pharmacokinetic studies.nNOS-IN-6 can be used for the research of neurodegenerative diseases, melanoma .

HY-182944

GATT-44	GABA Receptor	Neurological Disease
GATT-44 is a blood-brain barrier-permeable, selective GABA transporter 1 (GAT-1) ligand with an IC₅₀ of 126 nM. GATT-44 shows selectivity for GAT-2, GAT-3 and BGT-1 subtypes, and undergoes copper-mediated ¹⁸F-radiofluorination. The radiolabeled GATT-44 ([ ¹⁸F]GATT-44) exhibits brain uptake, metabolic stability and high GAT-1 binding specificity in non-human primates. GATT-44 is applicable for research on neurodegenerative and neuropsychiatric diseases .

HY-160938

β-Funaltrexamine β-FNA	Opioid Receptor STAT NF-κB Toll-like Receptor (TLR) NO Synthase p38 MAPK	Cardiovascular Disease Neurological Disease
β-Funaltrexamine (β-FNA) is a blood-brain barrier-permeable, selective and irreversible μ-opioid receptor antagonist with immunomodulatory, anti-inflammatory and neuroprotective activities. β-Funaltrexamine inhibits p38 MAPK and TLR4 signaling by blocking μ-opioid receptors, and reduces the transcriptional activities of NF-κB, AP-1, CREB and Stat. Furthermore, β-Funaltrexamine inhibits iNOS activation and pro-inflammatory microglial polarization, converting microglia to an anti-inflammatory phenotype, thereby downregulating neuroinflammation and ameliorating neuronal degeneration. β-Funaltrexamine is widely applicable to research related to stroke, cerebral ischemia/reperfusion injury and neurodegenerative diseases .

Cat. No.	Product Name

HY-L028

CNS-Penetrant Compound Library	1,120 compounds
The blood-brain barrier (BBB) is the complex network of brain microvessels. It protects the brain from the external bloodstream environment and supplies the brain with the required nutrients for normal function. However, blood-brain barrier is also the obstacle to deliver beneﬁcial drugs to treat CNS (central nervous system) diseases or brain tumors, as it has the least permeable capillaries in the entire body due to physical barriers (tight junctions). Therefore, it is crucial to discover drugs which can cross this barrier for the treatment of brain-based diseases, such as Alzheimer’s disease (AD), Parkinson’s disease (PD) and epilepsy. MCE offers a unique collection of 1,120 compounds with confirmed CNS-Penetrant property. It’s a useful tool for the discovery of drugs used for brain diseases, such as brain tumors, mental disorders, and neurodegenerative diseases.

CNS-Penetrant Compound Library

1,120 compounds

The blood-brain barrier (BBB) is the complex network of brain microvessels. It protects the brain from the external bloodstream environment and supplies the brain with the required nutrients for normal function. However, blood-brain barrier is also the obstacle to deliver beneﬁcial drugs to treat CNS (central nervous system) diseases or brain tumors, as it has the least permeable capillaries in the entire body due to physical barriers (tight junctions). Therefore, it is crucial to discover drugs which can cross this barrier for the treatment of brain-based diseases, such as Alzheimer’s disease (AD), Parkinson’s disease (PD) and epilepsy.

MCE offers a unique collection of 1,120 compounds with confirmed CNS-Penetrant property. It’s a useful tool for the discovery of drugs used for brain diseases, such as brain tumors, mental disorders, and neurodegenerative diseases.

HY-L919

MCE CNS BBB Lead-like Library	27,503 compounds
With the aging population and increasing competitive pressures, neurodegenerative diseases of the central nervous system (CNS) have become a serious medical challenge in modern society, including Parkinson's disease, Alzheimer's disease, brain tumors, and multiple sclerosis. However, the success rate of CNS drug development remains remarkably low, primarily due to the blood-brain barrier (BBB). The blood-brain barrier (BBB) is a semipermeable barrier structure that surrounds the microvasculature of the CNS. In capillaries, the wedged endothelial cells are tightly packed and wedge-shaped, lining the interior of the vessels to form extensive tight junctions. Along with a range of receptors, transporters, efflux pumps, and other cellular components, this barrier regulates the entry and exit of molecules between the bloodstream and the brain. The intact BBB blocks the passage of most blood-borne substances into the brain, preventing nearly 100% of large-molecule drugs and over 98% of small-molecule drugs from entering. Compared to non-CNS drugs, physicochemical properties such as hydrogen bonds, lipophilicity, and molecular weight significantly influence a compound's ability to cross the BBB. Using artificial intelligence (AI) algorithms to predict BBB permeability, a predicted value greater than 0.75 indicates that the compound has strong potential to cross the BBB, providing a promising starting point for CNS drug discovery.

MCE CNS BBB Lead-like Library

27,503 compounds

With the aging population and increasing competitive pressures, neurodegenerative diseases of the central nervous system (CNS) have become a serious medical challenge in modern society, including Parkinson's disease, Alzheimer's disease, brain tumors, and multiple sclerosis. However, the success rate of CNS drug development remains remarkably low, primarily due to the blood-brain barrier (BBB). The blood-brain barrier (BBB) is a semipermeable barrier structure that surrounds the microvasculature of the CNS. In capillaries, the wedged endothelial cells are tightly packed and wedge-shaped, lining the interior of the vessels to form extensive tight junctions. Along with a range of receptors, transporters, efflux pumps, and other cellular components, this barrier regulates the entry and exit of molecules between the bloodstream and the brain. The intact BBB blocks the passage of most blood-borne substances into the brain, preventing nearly 100% of large-molecule drugs and over 98% of small-molecule drugs from entering. Compared to non-CNS drugs, physicochemical properties such as hydrogen bonds, lipophilicity, and molecular weight significantly influence a compound's ability to cross the BBB. Using artificial intelligence (AI) algorithms to predict BBB permeability, a predicted value greater than 0.75 indicates that the compound has strong potential to cross the BBB, providing a promising starting point for CNS drug discovery.

HY-L920

CNS MPO Lead-like Library	24,816 compounds
With the aging population and increasing competitive pressures, neurodegenerative diseases of the central nervous system (CNS) have become a serious medical challenge in modern society, including Parkinson's disease, Alzheimer's disease, brain tumors, and multiple sclerosis. The CNS MPO (Multi-Parameter Optimization) score is a widely recognized algorithm in medicinal chemistry. Developed by Pfizer, this method is based on an analysis of approved CNS drugs and their interior CNS drug candidates, establishing the CNS MPO rules. It incorporates six key physicochemical properties (ClogP, ClogD, MW, TPSA, HBD, and pKa) to prospectively optimize CNS drug attributes—such as high blood-brain barrier (BBB) permeability, low P-gp efflux liability, low metabolic clearance, and high safety—thereby improving the clinical success rate of CNS drug candidates. The CNS MPO compound library is a collection of compounds with CNS MPO scores greater than 5, specifically designed for CNS drug discovery.

CNS MPO Lead-like Library

24,816 compounds

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-B0504

Creatinine 5+ Cited Publications NSC13123	Infection Structural Classification Natural Products Classification of Application Fields Disease markers Endocrine diseases Metabolic Disease Nervous System Disorder Endogenous metabolite Disease Research Fields Source Classification	Endogenous Metabolite GABA Receptor iGluR
Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-W008646

7,8-Dihydro-L-biopterin 1 Publications Verification	Structural Classification Natural Products Human Gut Microbiota Metabolites Classification of Application Fields Other Diseases Endogenous metabolite Disease Research Fields Source Classification	SOD Apoptosis NO Synthase
7,8-Dihydro-L-biopterin is a NOS uncoupling inducer with blood-brain barrier permeability, and it is a reduced non-conjugated pteridine. 7,8-Dihydro-L-biopterin is the main metabolite of 4-amino-tetrahydro-L-biopterin, and it undergoes photooxidation to form biopterin. 7,8-Dihydro-L-biopterin promotes the conversion of nitric oxide synthase to a superoxide-producing form, thereby increasing oxidative stress levels in the renal outer medulla and inducing apoptosis. 7,8-Dihydro-L-biopterin is sensitive to the inhibitory effect of SOD, and it can be applied to research related to salt-sensitive hypertension, moderate to severe traumatic brain injury, and neurodegenerative diseases .

HY-126411

Peonidin-3-O-galactoside chloride	Structural Classification Anthocyans Flavonoids other families Classification of Application Fields Other Diseases Phenols Polyphenols Plants Disease Research Fields Source Classification	Lipase ATP Synthase
Peonidin-3-O-galactoside chloride is an anthocyanin with antioxidant properties and blood-brain barrier permeability. Peonidin-3-O-galactoside chloride inhibits pancreatic lipase, with an IC₅₀ value of 23.2 μg/mL against porcine pancreatic lipase. Peonidin-3-O-galactoside chloride mediates neuroprotection, regulates glucose metabolism, protects cells from high glucose-induced damage, promotes glucose uptake and increases ATP production. Peonidin-3-O-galactoside (chloride) can be used in the research of obesity and neurodegenerative diseases .

HY-B0504R

Creatinine (Standard) NSC13123 (Standard)	Infection Structural Classification Natural Products Microorganisms Disease markers Endocrine diseases Nervous System Disorder Endogenous metabolite Source Classification	Reference Standards Endogenous Metabolite iGluR GABA Receptor
Creatinine (Standard) is the analytical standard of Creatinine. This product is intended for research and analytical applications. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-W008646R

7,8-Dihydro-L-biopterin (Standard)	Structural Classification Natural Products Human Gut Microbiota Metabolites Microorganisms Endogenous metabolite Source Classification	Reference Standards SOD Apoptosis NO Synthase
NADH (disodium salt) (Standard) is the analytical standard of NADH (disodium salt). This product is intended for research and analytical applications. 7,8-Dihydro-L-biopterin is a NOS uncoupling inducer with blood-brain barrier permeability, and it is a reduced non-conjugated pteridine. 7,8-Dihydro-L-biopterin is the main metabolite of 4-amino-tetrahydro-L-biopterin, and it undergoes photooxidation to form biopterin. 7,8-Dihydro-L-biopterin promotes the conversion of nitric oxide synthase to a superoxide-producing form, thereby increasing oxidative stress levels in the renal outer medulla and inducing apoptosis. 7,8-Dihydro-L-biopterin is sensitive to the inhibitory effect of SOD, and it can be applied to research related to salt-sensitive hypertension, moderate to severe traumatic brain injury, and neurodegenerative diseases .

Cat. No.	Product Name	Chemical Structure

HY-B0504S

Creatinine-d3 5 Publications Verification
Creatinine-d₃ is a deuterium labeled Creatinine. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

Creatinine-d3

5 Publications Verification

Creatinine-d₃ is a deuterium labeled Creatinine. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-B0504S2

Creatinine-d5
Creatinine-d₅ is the deuterium labeled Creatinine. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

Creatinine-d5

Creatinine-d₅ is the deuterium labeled Creatinine. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-B0504S1

Creatinine-13C
Creatinine- ¹³C is the ¹³C-labeled Creatinine. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

Creatinine-13C

Creatinine- ¹³C is the ¹³C-labeled Creatinine. Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

HY-B0504S5

Creatinine-15N
Creatinine- ¹⁵N (NSC13123- ¹⁵N) is the ¹⁵N-labeled Creatinine (HY-B0504). Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

Creatinine-15N

Creatinine- ¹⁵N (NSC13123- ¹⁵N) is the ¹⁵N-labeled Creatinine (HY-B0504). Creatinine (NSC13123) is an orally active, blood-brain barrier-permeable modulator of GABAA and NMDA receptors, with activities of antioxidation and metabolic regulation. Creatinine is generated via non-enzymatic conversion of creatine and phosphocreatine in muscle. Creatinine serum levels correlate with muscle mass, glomerular filtration rate, and extrarenal clearance, serving as an evaluation biomarker for renal function, muscle mass, and clinical outcomes, and used for perioperative renal risk assessment. In addition, Creatinine can induce specific Cryptococcus species to produce creatinine deiminase and act as their nitrogen source, while it can be secreted via renal tubules. Creatinine is widely used in research related to various diseases such as neurodegenerative diseases, psychiatric disorders, acute kidney injury, chronic kidney disease, and renal failure .

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