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" in MedChemExpress (MCE) Product Catalog:

By Targets:	Ack1 (1) Antibiotic (1) Apoptosis (2) Bcr-Abl (1) Biochemical Assay Reagents (1) Cathepsin (2) Cholinesterase (ChE) (2) DNA/RNA Synthesis (1) Endogenous Metabolite (1) Ferroptosis (1) Fungal (1) HSV (2) Isotope-Labeled Compounds (1) MALT1 (1) MAP4K (2) Microtubule/Tubulin (3) Neurokinin Receptor (2) Reactive Oxygen Species (2) SARS-CoV (2) Sodium Channel (1)
By Research Areas:	Cancer (11) Cardiovascular Disease (1) Endocrinology (3) Infection (5) Inflammation/Immunology (4) Metabolic Disease (1) Neurological Disease (5)

Inhibitors & Agonists

Screening Libraries

Peptides

Natural
Products

Recombinant Proteins

Isotope-Labeled Compounds

Antibodies

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-N8028

Quercetin 3-O-sambubioside 1 Publications Verification	Others	Cancer
Quercetin-3-O-sambubioside is a monomeric compound found in Eucommia ulmoides male flowers. Quercetin-3-O-sambubioside promotes the stimulation of the nerve center. Antioxidant and anticancer activities .

HY-116807

Dihydrolipoic Acid DHLA	Reactive Oxygen Species	Neurological Disease Inflammation/Immunology
Dihydrolipoic Acid (DHLA) is an excellent antioxidant capable of scavenging almost any oxygen-centered radical . Dihydrolipoic acid exhibits anti-inflammatory properties in various diseases. Dihydrolipoic Acid exerts a preventive effect via ERK/Nrf2/HO-1/ROS/NLRP3 pathway in LPS-induced sickness behavior rats. Dihydrolipoic Acid can be used for the reaserch of depression .

HY-143868

HPK1-IN-27	MAP4K	Cancer
HPK1-IN-27 is a potent inhibitor of HPK1. MAP4K1 is also known as hematopoietic progenitor kinase 1 (HPK1). MAP4K1 is a serine/threonine kinase and member of the germinal center kinase family. HPK1-IN-27 has the potential for the research of cancer diseases (extracted from patent WO2019016071A1, compound 38) .

HY-143871

HPK1-IN-30	MAP4K	Cancer
HPK1-IN-30 is a potent inhibitor of HPK1. MAP4K1 is also known as hematopoietic progenitor kinase 1 (HPK1). MAP4K1 is a serine/threonine kinase and member of the germinal center kinase family. HPK1-IN-30 has the potential for the research of cancer diseases (extracted from patent WO2021175271A1, compound 3) .

HY-N10516

Bacteriopheophytin	Others	Others
Bacteriopheophytin, a photosynthetic pigment, is a bacterial demagnetised chlorophyll composed of bacterial chlorophyll in which two hydrogen atoms replace the magnesium center. Bacteriopheophytin acts as an electron acceptor in the purple bacterial reaction center (RC) and is involved in electron transfer .

HY-136355

Picoxystrobin	Fungal	Infection
Picoxystrobin is a primary strobilurin fungicide that is widely applied for plant disease control. Picoxystrobin inhibits mitochondrial respiration via blocking electron transfer at the Qo center of cytochrome b and c1 .

HY-118593

A2315A Madumycin II; Antibiotic A 2315A	Antibiotic	Infection
A2315A (Madumycin II) is an alanine-containing streptogramin A antibiotic. A2315A is a potent *peptidyl transferase center* (PTC)** inhibitor. A2315A inhibits the ribosome prior to the first cycle of peptide bond formation .

HY-107584

BYK 191023 dihydrochloride	Others	Metabolic Disease
BYK 191023 is a highly selective inducible nitric-oxide synthase (iNOS) inhibitor. BYK 191023 interacts with the catalytic center of the enzyme. BYK 191023 can be used to study the in vivo and in vitro effects mediated by iNOS .

HY-B1200

Pralidoxime chloride 2-PAM chloride	Cholinesterase (ChE)	Neurological Disease
Pralidoxime chloride is a potent reactivator of acetylcholinesterase (AChE). Pralidoxime chloride reactivates nerve agent-inhibited AChE via direct nucleophilic attack by the oxime moiety on the phosphorus center of the bound nerve agent. Pralidoxime chloride is an antidote for organophosphate poisoning .

HY-B1738

Pralidoxime
Pralidoxime is a potent reactivator of acetylcholinesterase (AChE). Pralidoxime reactivates nerve agent-inhibited AChE via direct nucleophilic attack by the oxime moiety on the phosphorus center of the bound nerve agent. Pralidoxime is an antidote for organophosphate poisoning .

HY-10053

Maropitant	Neurokinin Receptor	Neurological Disease Endocrinology
Maropitant is a selective and orally active neurokinin (NK1) receptor antagonist. Maropitant acts by blocking the binding of substance P within the emetic center and the chemoreceptor trigger zone (CRTZ). Maropitant is highly effective in preventing vomiting .

HY-128974

N-Dodecyl-β-D-maltoside 2 Publications Verification Lauryl Maltoside	Others	Others
N-Dodecyl-β-D-maltoside (Lauryl Maltoside) is a non-ionic detergent. N-Dodecyl-β-D-maltoside has strong adsorption on alumina, titanium dioxide and hematite. N-Dodecyl-β-D-maltoside can promote the reactivation of various proteins. N-Dodecyl-β-D-maltoside can effectively stabilize photoactive reaction center complexes (RCs) and inhibit the degradation of Rhodopseudomonas spheroides R-26 reaction center in solution. N-Dodecyl-β-D-maltoside can be used for purification and stabilization of RNA polymerase and for detection of protein-lipid interactions .

HY-B1738A

Pralidoxime iodide	Cholinesterase (ChE)	Neurological Disease
Pralidoxime iodide is a potent reactivator of acetylcholinesterase (AChE). Pralidoxime iodide reactivates nerve agent-inhibited AChE via direct nucleophilic attack by the oxime moiety on the phosphorus center of the bound nerve agent. Pralidoxime iodide is an antidote for organophosphate poisoning .

HY-16908A

Lefamulin acetate 1 Publications Verification BC-3781 acetate
Lefamulin (BC-3781) acetate is an orally active antibiotic. Lefamulin acetate inhibits protein synthesis by binding to the peptidyl transferase center of the 50S bacterial ribosome. Lefamulin acetate has anti-inflammatory activity. Lefamulin acetate can be used in the research of bacterial infections, such as bacterial pneumonia .

HY-16908

Lefamulin BC-3781
Lefamulin (BC-3781) is an orally active antibiotic. Lefamulin inhibits protein synthesis by binding to the peptidyl transferase center of the 50S bacterial ribosome. Lefamulin has anti-inflammatory activity. Lefamulin can be used in the research of bacterial infections, such as bacterial pneumonia .

HY-149035

PAA4	Others	Cancer
PAA4 is a methide carbon-centered polynuclear Au(I) clusters. PAA4 shows antiproliferative activity. PAA4 increases the expression of pH2AX in a time dependent manner. PAA4 shows anti-tumor effect in orthotopic bladder cancer mouse model .

HY-149036

PAA5	Ferroptosis Endogenous Metabolite Reactive Oxygen Species	Cancer
PAA5 is a methide carbon-centered polynuclear Au(I) cluster. PAA5 can release Au(I) causing Pro-oxidant response and accelerated ferroptosis. PAA5 increases the expression of pH2AX in a time-dependent manner. PAA5 has anticancer activity .

HY-D0020

2,2'-Bipyridine	Biochemical Assay Reagents	Infection Endocrinology
2,2'-Bipyridine is the unique molecular scaffold of the bioactive natural products. 2,2'-Bipyridine is extensively used as the core structure of many chelating ligands by acting as a bridge in the arrangement of the catalytic center. 2,2'-Bipyridine shows robust redox stability and hyperglycemic activity .

HY-10053S1

Maropitant-13C,d3	Isotope-Labeled Compounds Neurokinin Receptor	Neurological Disease Endocrinology
Maropitant- ¹³C,d₃ is the ¹³C- and deuterium labeled Maropitant. Maropitant is a selective and orally active neurokinin (NK1) receptor antagonist. Maropitant acts by blocking the binding of substance P within the emetic center and the chemoreceptor trigger zone (CRTZ). Maropitant is highly effective in preventing vomiting[1][2].

HY-14507

YK-4-279 5 Publications Verification	DNA/RNA Synthesis Apoptosis	Cancer
YK-4-279 blocks RNA Helicase A (RHA) binding with EWS-FLI1 (oncogenic protein). YK-4-279 induces apoptosis and shows anti-proliferation activities towards various cancer cells. YK-4-279 has a chiral center and it can be separated into two enantiomers. YK-4-279 can be used for the research of cancer .

HY-10943

GNF-7 1 Publications Verification	Bcr-Abl Ack1	Cancer
GNF-7 is a multikinase inhibitor. GNF-7 is a Bcr-Abl inhibitor, with IC₅₀s of 133 nM and 61 nM for Bcr-Abl ^WT and Bcr-Abl ^T315I, respectively. GNF-7 also possesses inhibitory activity against both ACK1 (activated CDC42 kinase 1) and GCK (germinal center kinase) with IC₅₀s of 25 nM and 8 nM, respectively. GNF-7 can be used for the research of hematologic malignancies .

HY-108137

Z-LVG-CHN2 2 Publications Verification	Cathepsin HSV SARS-CoV	Infection Inflammation/Immunology
Z-LVG-CHN2 is a cell-permeable and irreversible inhibitor of cysteine proteinase. Z-LVG-CHN2 is a tripeptide derivative and mimics part of the human cysteine proteinase-binding center. Z-LVG-CHN2 displays an inhibition on HSV whereas no significant effect on poliovirus replication. Z-LVG-CHN2 effectively blocks SARS-COV-2 replication (EC₅₀=190 nM) via inhibition of SARS-COV-2 3CL pro protease .

HY-12545

Brevetoxin-3 PbTx-3	Sodium Channel	Inflammation/Immunology
Brevetoxin-3 (PbTx-3) is a potent allosteric voltage-gated Na ⁺ channel activator and has multiple active centers (A-ring lactone, C-42 of R side chain) . Brevetoxin-3 (PbTx-3) has a high affinity to site 5 of the voltage-sensitive Na ⁺ channels, inhibits the inactivation of Na ⁺ channels and prolongs the mean open time of these channels. Brevetoxin-3 (PbTx-3) repeated exposures can lead to prolonged airway hyperresponsiveness (AHR) and lung inflammation .

HY-138822

2,3-Diphospho-D-glyceric acid pentasodium salt 2,3-DPG pentasodium salt	Others	Cardiovascular Disease
2,3-Diphospho-D-glyceric acid pentasodium salt is a highly anionic polyphosphorus compound. 2,3-Diphospho-D-glyceric acid is present in the concave center of red blood cells, it binds hemoglobin to reduce its oxygen affinity. 2,3-Diphospho-D-glyceric acid is an endogenous, selective inhibitor of vascular calcification (VC) and significantly delays the formation of crystalline calpain particles (CPP). 2,3-Diphospho-D-glyceric acid also inhibits calcification in mouse vascular smooth muscle cell line (MOVAS) without cytotoxic effects .

HY-108137A

Z-L(D-Val)G-CHN2	Cathepsin HSV SARS-CoV	Infection
Z-L(D-Val)G-CHN2 is the isoform of Z-LVG-CHN2 (HY-108137). Z-LVG-CHN2 is a cell-permeable and irreversible inhibitor of cysteine proteinase. Z-LVG-CHN2 is a tripeptide derivative and mimics part of the human cysteine proteinase-binding center. Z-LVG-CHN2 displays an inhibition on HSV whereas no significant effect on poliovirus replication. Z-LVG-CHN2 effectively blocks SARS-COV-2 replication (EC₅₀=190 nM) via inhibition of SARS-COV-2 3CL pro protease .

HY-162268

MALT1-IN-13	MALT1 Apoptosis	Inflammation/Immunology Cancer
MALT1-IN-13 (compound 10m) is inhibitor for mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1), which to binds MALT1 protease covalently and irreversibly, inhibits MALT1 with the IC₅₀ of 1.7 μM. MALT1-IN-13 inhibits proliferation against ABC-DLBCL and induces apoptosis in ABC-DLBCL HBL1. MALT1-IN-13 regulates mTOR and PI3K-Akt pathways .

HY-151394

Tubulin polymerization-IN-33	Microtubule/Tubulin	Cancer
Tubulin polymerization-IN-33 is an inhibitor of [1,2]oxazoloisoindoles tubulin polymerization, exhibits high antiproliferative activity against the NCI panel .

HY-151395

Tubulin polymerization-IN-34	Microtubule/Tubulin	Cancer
Tubulin polymerization-IN-34 is an inhibitor of [1,2]oxazoloisoindoles tubulin polymerization, demonstrates high selectivity against marginal zone lymphoma VL51 cell line .

HY-151396

Tubulin polymerization-IN-35	Microtubule/Tubulin	Cancer
Tubulin polymerization-IN-35 is an inhibitor of [1,2]oxazoloisoindoles tubulin polymerization, demonstrates high selectivity against marginal zone lymphoma VL51 cell line .

Cat. No.	Product Name

HY-L0120V

Asinex BioDesign Library	170,269 compounds
“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates. Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).

Asinex BioDesign Library

170,269 compounds

“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates.

Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).

HY-L912V

MegaUni 10M Virtual Diversity Library	10,000,000 compounds
With MCE's 40,662 BBs, covering around 273 reaction types, more than 40 million molecules were generated. Compounds which comply with Ro5 criteria were selected. Inappropriate chemical structures, such as PAINS motifs and synthetically difficult accessible, were removed. Based on Morgan Fingerprint, molecular clustering analysis was carried out, and molecules close to each clustering center were extracted to form this drug-like and synthesizable diversity library. These selected molecules have 805,822 unique Bemis-Murcko Scaffolds (BMS) with diversified chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.

MegaUni 10M Virtual Diversity Library

10,000,000 compounds

With MCE's 40,662 BBs, covering around 273 reaction types, more than 40 million molecules were generated. Compounds which comply with Ro5 criteria were selected. Inappropriate chemical structures, such as PAINS motifs and synthetically difficult accessible, were removed. Based on Morgan Fingerprint, molecular clustering analysis was carried out, and molecules close to each clustering center were extracted to form this drug-like and synthesizable diversity library. These selected molecules have 805,822 unique Bemis-Murcko Scaffolds (BMS) with diversified chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.

HY-L910V

MegaUni 50K Virtual Diversity Library	50,000 compounds
MegaUni 50K Virtual Diversity Library consists of 50,000 novel, synthetically accessible, lead-like compounds. With MCE's 40,662 Building Blocks, covering around 273 reaction types, more than 40 million molecules were generated. Based on Morgan Fingerprint and Tanimoto Coefficient, molecular clustering analysis was carried out, and molecules closest to each clustering center were extracted to form a drug-like and synthesizable diversity library. The selected 50,000 drug-like molecules have 46,744 unique Bemis-Murcko Scaffolds (BMS), each containing only 1-3 compounds. This diverse library is highly recommended for virtual screening and novel lead discovery.

MegaUni 50K Virtual Diversity Library

50,000 compounds

MegaUni 50K Virtual Diversity Library consists of 50,000 novel, synthetically accessible, lead-like compounds. With MCE's 40,662 Building Blocks, covering around 273 reaction types, more than 40 million molecules were generated. Based on Morgan Fingerprint and Tanimoto Coefficient, molecular clustering analysis was carried out, and molecules closest to each clustering center were extracted to form a drug-like and synthesizable diversity library. The selected 50,000 drug-like molecules have 46,744 unique Bemis-Murcko Scaffolds (BMS), each containing only 1-3 compounds. This diverse library is highly recommended for virtual screening and novel lead discovery.

HY-L903

3D Diverse Fragment Library	5196 compounds
Fragment-based drug discovery (FBDD) is well suited for discovering both drug leads and chemical probes of protein function. 3-dimensionality (3D) diversity is pivotal because the molecular shape is one of the most important factors in molecular recognition by a biomolecule. There is a developing appreciation that 3D fragments could offer opportunities that are not provided by 2D fragments. MCE 3D Diverse Fragment Library consists of 5,196 non-flat fragment-like molecules (average Fsp3 value 0.58). More than 4,700 fragment compounds contain at least one chiral center in the structure. The key concepts that underlie the library design were 3D shape, structural diversity, reactive functionality and fragment-like. This 3D Diverse Fragment Library brings higher fragment hit optimization and increases the likelihood to find innovative hits in FBDD.

3D Diverse Fragment Library

5196 compounds

Fragment-based drug discovery (FBDD) is well suited for discovering both drug leads and chemical probes of protein function. 3-dimensionality (3D) diversity is pivotal because the molecular shape is one of the most important factors in molecular recognition by a biomolecule. There is a developing appreciation that 3D fragments could offer opportunities that are not provided by 2D fragments.

MCE 3D Diverse Fragment Library consists of 5,196 non-flat fragment-like molecules (average Fsp3 value 0.58). More than 4,700 fragment compounds contain at least one chiral center in the structure. The key concepts that underlie the library design were 3D shape, structural diversity, reactive functionality and fragment-like. This 3D Diverse Fragment Library brings higher fragment hit optimization and increases the likelihood to find innovative hits in FBDD.

[Thr28, Nle31]-Cholecystokinin (25-33), sulfated	Peptides	Others
[Thr28, Nle31]-Cholecystokinin (25-33) is a biological active peptide. (Cholecystokinin (CCK) acts both as a hormone and a neurotransmitter and is found in the GI system and the central nervous system. It is a satiety peptide that inhibits food intake.This Cholecystokinin (CCK) analog retains all the bioactivities of CCK8, but was found to be remarkably more stable in acidic media and unaffected by air oxidation due to Met replacements (Thr 28 and Nle31 were substituted for Methionine). The predominant conformation contains a gamma-turn centered on Thr4, separated by Gly5 from a helical segment that comprises the C-terminal residues.)

Cat. No.	Product Name	Category	Target	Chemical Structure