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By Targets:	5-HT Receptor (1) Biochemical Assay Reagents (1) Drug Intermediate (2) Endogenous Metabolite (1) mGluR (1) Potassium Channel (1) Reference Standards (2)
By Research Areas:	Neurological Disease (5)

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Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-W006416

1,2,3,4-Tetramethylbenzene	Drug Intermediate	Others
1,2,3,4-Tetramethylbenzene is an aromatic hydrocarbon. 1,2,3,4-Tetramethylbenzene can serve as a molecular marker indicating the input of photosynthetic sulfur bacteria (especially green sulfur bacteria) in ancient sedimentary environments, reflecting the static marine environment of the source rock deposition. 1,2,3,4-Tetramethylbenzene can also be used as a pharmaceutical intermediate .

HY-B0229

Zolmitriptan BW-311C90; 311C90	5-HT Receptor Endogenous Metabolite	Neurological Disease
Zolmitriptan (BW-311C90; 311C90) is a 5-HT1B/1D receptor partial agonist that can cross the blood-brain barrier, with K_is of 5.01 nM, 0.63 nM, and 63.09 nM for 5-HT1B, 5-HT1D, 5-HT1F receptor, respectively. Zolmitriptan can be used for the research of migraine .

HY-D2186

BTD probe-1 1 Publications Verification	Biochemical Assay Reagents	Others
BTD probe-1 is a benzothiazine-based chemoproteomic probe and selective protein S-sulfenic acid (Cys-SOH) labeling agent. BTD probe-1 labels protein S-sulfenic acids in vitro in cell and tissue samples, and in situ in intact cells, enabling detection or enrichment of modified proteins/peptides. BTD probe-1 exhibits no cytotoxicity in cells at concentrations ≤1 mM. BTD probe-1 enables global, site-specific mapping and quantification of cysteine S-sulfenylation in complex proteomes with lower input material .

HY-110122

AZ 12216052 1 Publications Verification	mGluR	Neurological Disease
AZ 12216052 is a mGluR8 positive allosteric modulator, and helps mGluR8 modulate signaling inputing to retinal ganglion cells. AZ 12216052 exhibits antianxiety effect .

HY-W006416R

1,2,3,4-Tetramethylbenzene (Standard)	Reference Standards Drug Intermediate	Others
1,2,3,4-Tetramethylbenzene (Standard) is the analytical standard substance of 1,2,3,4-Tetramethylbenzene. This product is used for research and analytical applications. 1,2,3,4-Tetramethylbenzene is an aromatic hydrocarbon. 1,2,3,4-Tetramethylbenzene can serve as a molecular marker indicating the input of photosynthetic sulfur bacteria (especially green sulfur bacteria) in ancient sedimentary environments, reflecting the static marine environment of the source rock deposition. 1,2,3,4-Tetramethylbenzene can also be used as a drug intermediate.

HY-108592R

UCL 2077 (Standard)	Reference Standards Potassium Channel	Neurological Disease
UCL 2077 (Standard) is the analytical standard of UCL 2077 (HY-108592). This product is intended for research and analytical applications. UCL 2077 is a selective slow-afterhyperpolarization (sAHP) channel blocker (IC₅₀ = 500 nM in hippocampal neurons in culture), having minimal effects on Ca2+ channels, action potentials, input resistance and the medium after hyperpolarization . UCL 2077 is also a subtype-selective blocker of the epilepsy associated KCNQ channels .

Cat. No.	Product Name

HY-L932V0

Kinase Macrocyclic Compound Virtual Library	2,000,000 compounds
Macrocyclic compounds (≥12-atom cyclic small molecules/peptides) have unique physicochemical properties. They form preorganized conformations with high binding affinity/selectivity, target traditional small-molecule-inaccessible proteins, and bridge small-molecule drugs and biological agents. As key protein phosphorylation enzymes, kinases are linked to tumors, COPD, etc., and are critical therapeutic targets. Traditional small-molecule kinase inhibitors lack selectivity, causing off-target toxicity, low bioavailability, and acquired resistance. Macrocycles’ semi-rigid structure restricts conformations, boosts binding selectivity, optimizes pharmacokinetics, and makes macrocyclization a core kinase inhibitor optimization strategy. Thousands of bioactive macrocycles were curated from ChEMBL. Via Transformer, macrocyclization was converted into a chemical language translation task, enabling end-to-end macrocycle generation from linear precursors with simplified inputs. Macformer achieves efficient, automated linear molecule macrocyclization via deep learning; generated macrocycles have diversity, novelty, biocompatibility, and cover broader chemical space. MCE collected thousands of marketed/clinical kinase inhibitors, using their fragments for macrocyclization to generate derivatives. After evaluating synthetic accessibility and physicochemical properties, a million-scale virtual macrocyclic library was built for kinase-related virtual and AI-driven screening.

Kinase Macrocyclic Compound Virtual Library

2,000,000 compounds

Macrocyclic compounds (≥12-atom cyclic small molecules/peptides) have unique physicochemical properties. They form preorganized conformations with high binding affinity/selectivity, target traditional small-molecule-inaccessible proteins, and bridge small-molecule drugs and biological agents. As key protein phosphorylation enzymes, kinases are linked to tumors, COPD, etc., and are critical therapeutic targets. Traditional small-molecule kinase inhibitors lack selectivity, causing off-target toxicity, low bioavailability, and acquired resistance. Macrocycles’ semi-rigid structure restricts conformations, boosts binding selectivity, optimizes pharmacokinetics, and makes macrocyclization a core kinase inhibitor optimization strategy.

Thousands of bioactive macrocycles were curated from ChEMBL. Via Transformer, macrocyclization was converted into a chemical language translation task, enabling end-to-end macrocycle generation from linear precursors with simplified inputs. Macformer achieves efficient, automated linear molecule macrocyclization via deep learning; generated macrocycles have diversity, novelty, biocompatibility, and cover broader chemical space.

MCE collected thousands of marketed/clinical kinase inhibitors, using their fragments for macrocyclization to generate derivatives. After evaluating synthetic accessibility and physicochemical properties, a million-scale virtual macrocyclic library was built for kinase-related virtual and AI-driven screening.

HY-L932V

Kinase Macrocyclic Compound Virtual Library	2,000,000 compounds
Macrocyclic compounds (≥12-atom cyclic small molecules/peptides) have unique physicochemical properties. They form preorganized conformations with high binding affinity/selectivity, target traditional small-molecule-inaccessible proteins, and bridge small-molecule drugs and biological agents. As key protein phosphorylation enzymes, kinases are linked to tumors, COPD, etc., and are critical therapeutic targets. Traditional small-molecule kinase inhibitors lack selectivity, causing off-target toxicity, low bioavailability, and acquired resistance. Macrocycles’ semi-rigid structure restricts conformations, boosts binding selectivity, optimizes pharmacokinetics, and makes macrocyclization a core kinase inhibitor optimization strategy. Thousands of bioactive macrocycles were curated from ChEMBL. Via Transformer, macrocyclization was converted into a chemical language translation task, enabling end-to-end macrocycle generation from linear precursors with simplified inputs. Macformer achieves efficient, automated linear molecule macrocyclization via deep learning; generated macrocycles have diversity, novelty, biocompatibility, and cover broader chemical space. MCE collected thousands of marketed/clinical kinase inhibitors, using their fragments for macrocyclization to generate derivatives. After evaluating synthetic accessibility and physicochemical properties, a million-scale virtual macrocyclic library was built for kinase-related virtual and AI-driven screening.

Kinase Macrocyclic Compound Virtual Library

2,000,000 compounds

HY-L917

RNA Binding Library	5,619 compounds
RNA is crucial for the regulation of numerous cellular processes and functions. With the in-depth study of disease mechanisms, processes such as RNA expression, splicing, translation, and stability regulation have become new targets for disease intervention. RNA has provided new therapeutic modalities for metabolic diseases, genetic disorders, and cancer patients, resulting in several innovative drugs. MCE R&D team collected small molecules targeting RNA from the PDB, R-BIND, ROBIN, and internal database as the positive dataset, and non-targeting RNA small molecules from ROBIN as the negative dataset. Based on the GeminiMol pre-trained model, we encoded the molecules and calculated over 1700 molecular descriptors using Mordred as inputs for the model. Subsequently, we employed 13 deep learning models to learn from the data. All of which yielded good training results, with AUROCs greater than 0.75. Ultimately, we selected the Finetune model to screen HY-L901P, which exhibited the best classification performance, achieving an AUROC of 0.82 and a prediction accuracy of 0.76. We then applied filtering based on StaR rules (with at least two of the following properties: cLogP ≥ 1.5, Molar Refractivity ≥ 4, Relative Polar Surface Area ≤ 0.3) to obtain a library containing approximately 5,000 small molecule compounds targeting RNA. This library serves as a valuable tool for screening small molecules that interact with RNA.

RNA Binding Library

5,619 compounds

RNA is crucial for the regulation of numerous cellular processes and functions. With the in-depth study of disease mechanisms, processes such as RNA expression, splicing, translation, and stability regulation have become new targets for disease intervention. RNA has provided new therapeutic modalities for metabolic diseases, genetic disorders, and cancer patients, resulting in several innovative drugs.

MCE R&D team collected small molecules targeting RNA from the PDB, R-BIND, ROBIN, and internal database as the positive dataset, and non-targeting RNA small molecules from ROBIN as the negative dataset. Based on the GeminiMol pre-trained model, we encoded the molecules and calculated over 1700 molecular descriptors using Mordred as inputs for the model. Subsequently, we employed 13 deep learning models to learn from the data. All of which yielded good training results, with AUROCs greater than 0.75. Ultimately, we selected the Finetune model to screen HY-L901P, which exhibited the best classification performance, achieving an AUROC of 0.82 and a prediction accuracy of 0.76. We then applied filtering based on StaR rules (with at least two of the following properties: cLogP ≥ 1.5, Molar Refractivity ≥ 4, Relative Polar Surface Area ≤ 0.3) to obtain a library containing approximately 5,000 small molecule compounds targeting RNA. This library serves as a valuable tool for screening small molecules that interact with RNA.

Cat. No.	Product Name	Type

HY-D2186

BTD probe-1 1 Publications Verification	Fluorescent Dyes
BTD probe-1 is a benzothiazine-based chemoproteomic probe and selective protein S-sulfenic acid (Cys-SOH) labeling agent. BTD probe-1 labels protein S-sulfenic acids in vitro in cell and tissue samples, and in situ in intact cells, enabling detection or enrichment of modified proteins/peptides. BTD probe-1 exhibits no cytotoxicity in cells at concentrations ≤1 mM. BTD probe-1 enables global, site-specific mapping and quantification of cysteine S-sulfenylation in complex proteomes with lower input material .

BTD probe-1

1 Publications Verification

Fluorescent Dyes

BTD probe-1 is a benzothiazine-based chemoproteomic probe and selective protein S-sulfenic acid (Cys-SOH) labeling agent. BTD probe-1 labels protein S-sulfenic acids in vitro in cell and tissue samples, and in situ in intact cells, enabling detection or enrichment of modified proteins/peptides. BTD probe-1 exhibits no cytotoxicity in cells at concentrations ≤1 mM. BTD probe-1 enables global, site-specific mapping and quantification of cysteine S-sulfenylation in complex proteomes with lower input material .

Cat. No.	Product Name	Target	Research Area

HY-P10690

CCHa1 peptide	Peptides	Neurological Disease
CCHa1 peptide is a signaling peptide that plays a role in inhibiting sleep arousal. It is produced by enteroendocrine cells in the gut and modulates the animal's response to sensory inputs such as mechanical vibrations by acting on specific dopamine neurons in the brain, thereby helping to suppress arousal responses. CCHa1 peptide holds potential for research in fields related to sleep quality and sensory adaptation .

HY-P2135

Neuropeptide AF1	Peptides	Neurological Disease
Neuropeptide AF1 is a FMRFamide-like neuropeptide. Neuropeptide AF1 can be isolated from head extracts of the nematode Ascaris suum. Neuropeptide AF1 rapidly and reversibly abolishs slow membrane potential oscillations of identified ventral and dorsal inhibitory motoneurons and selectively reduces their input resistances. Neuropeptide AF1 inhibits locomotory movements in intact Ascaris .

Zolmitriptan BW-311C90; 311C90	Structural Classification Alkaloids Neurological Disease Classification of Application Fields Endogenous metabolite Disease Research Fields Indole Alkaloids Source Classification	5-HT Receptor Endogenous Metabolite
Zolmitriptan (BW-311C90; 311C90) is a 5-HT1B/1D receptor partial agonist that can cross the blood-brain barrier, with K_is of 5.01 nM, 0.63 nM, and 63.09 nM for 5-HT1B, 5-HT1D, 5-HT1F receptor, respectively. Zolmitriptan can be used for the research of migraine .

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BODIPY 493/503 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 Feb 1;16(1):1241. [Abstract]

MedchemExpress Validation 01

Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred to a PVDF membrane and blocked with 5% non-fat milk in TBST for 2 hour at room temperature. The primary antibody (1/1000) and Loading control antibody (Beta Actin, HY-P80438, 1/10000) was used in 5% non-fat milk in TBST at 4°C overnight. Goat Anti-Mouse/Rabbit IgG-HRP Secondary Antibody (1/10000) was used for 1 hour at room temperature. Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred to a PVDF membrane and blocked with 5% non-fat milk in TBST for 2 hour at room temperature. The primary antibody (1/1000) and Loading control antibody (Beta Actin, HY-P80438, 1/10000) was used in 5% non-fat milk in TBST at 4°C overnight. Goat Anti-Mouse/Rabbit IgG-HRP Secondary Antibody (1/10000) was used for 1 hour at room temperature. Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred to a PVDF membrane and blocked with 5% non-fat milk in TBST for 2 hour at room temperature. The primary antibody (1/1000) and Loading control antibody (Beta Actin, HY-P80438, 1/10000) was used in 5% non-fat milk in TBST at 4°C overnight. Goat Anti-Mouse/Rabbit IgG-HRP Secondary Antibody (1/10000) was used for 1 hour at room temperature.

BODIPY 493/503 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 Feb 1;16(1):1241. [Abstract]

MedchemExpress Validation 01

MedchemExpress Validation 03

Western blot analysis of extracts from THP-1(lane 2(20μg), Jurkat (lane 3(20μg) and NIH3T3(lane 4(20μg) using FOXO1A (HY-P80132) Rabbit mAb. Proteins were transferred

MedchemExpress Validation 04

MedchemExpress Validation

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Inhibitors & Agonists

Screening Libraries

Fluorescent Dyes

Peptides

NaturalProducts

Natural
Products