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SAR analysis

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Drug Derivative (1) Histone Methyltransferase (1) LPL Receptor (1) Myosin (1) NADPH Oxidase (1) SARS-CoV (2) Virus Protease (1)
By Research Areas:	Cancer (1) Cardiovascular Disease (1) Infection (2) Inflammation/Immunology (2)

Inhibitors & Agonists

Screening Libraries

Peptides

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-108494

CYM50260	LPL Receptor	Cardiovascular Disease
CYM50260 is a potent and exquisitely selective sphingosine-1-phosphate 4 receptor (S1P₄-R) agonist with an EC₅₀ of 45 nM. CYM50260 displays no activity against S1P₁-R, S1P₂-R, S1P₃-R and S1P₅-R .

HY-W024485

SARS-CoV-2-IN-86	SARS-CoV Drug Derivative	Infection
SARS-CoV-2-IN-86 (Compound 2734589) is SARS-CoV-2 methyltransferases nsp14 and nsp16 inhibitor, Andrographolide (HY-N0191) derivative. SARS-CoV-2-IN-86 has low toxicity, and according to toxicity analysis, the predicted LD50 is 700 mg/kg .

HY-180792

CK-571	Myosin	Inflammation/Immunology
CK-571 is a potent and selective inhibitor of smooth muscle myosin-2 (SMM), with an IC₅₀ value of 86 nM. CK-571 exhibits IC₅₀ values for cardiac muscle myosin (CMM), skeletal muscle myosin (SKM), and non-muscle myosin-2A (NMM-2A) of 2.3, 42, and 0.58 μM, respectively. CK-571 can be used for research on asthma, chronic obstructive pulmonary disease, and other smooth muscle-related diseases .

HY-180816

PRMT5-MTA-IN-7	Histone Methyltransferase	Cancer
PRMT5-MTA-IN-7 (Compound 14) is a selective PRMT5-MTA inhibitor. PRMT5-MTA-IN-7 exhibits K_D values of PRMT5-MTA-IN-7 for PRMT5-MTA and PRMT5-SAM of 236 nM and 2.84 μM respectively, and the IC₅₀ values of 4.08 and 13.6 μM respectively. PRMT5-MTA-IN-7 can selectively inhibit the proliferation of MTAP-deficient cancer cells. PRMT5-MTA-IN-7 can be used for the study of colon cancer .

HY-181176

DEMAMP	NADPH Oxidase SARS-CoV Virus Protease	Infection Inflammation/Immunology
DEMAMP is an antioxidant. DEMAMP exhibits scavenging effects on DPPH and H₂O₂ free radicals, with IC₅₀ values of 0.60 and 0.48 mg/mL, respectively. Molecular docking simulations show that DEMAMP potently inhibits NADPH oxidase and the Mpro and RdRp proteins of *SARS-CoV-2, and ADMET analysis* confirms that it has favorable oral bioavailability. DEMAMP can be used in studies related to COVID-19 .

Cat. No.	Product Name

HY-L245

Natural Product Diversity Scaffold Library	2,272 compounds
At the forefront of innovative drug discovery, every medicinal chemist faces the challenge of rapidly identifying high-quality hit compounds from vast repositories of chemical resources. The MCE Natural Product Diversity Scaffold Library is the result of a streamlined optimization process built upon our existing natural product collection. Adhering to the rigorous selection principle of "retaining only one representative compound per BMS scaffold", we have concentrated the diversity of thousands of compounds into a high-value, low-redundancy core set containing 2,272 compounds. All compounds are derived from natural sources, inheriting their inherent advantages of structural complexity and drug-likeness. By eliminating redundancy, the library size is significantly reduced without any compromise to chemical diversity. This approach effectively lowers the cost and time required for primary screening while simplifying downstream data analysis and structure-activity relationship (SAR) studies.

Natural Product Diversity Scaffold Library

2,272 compounds

At the forefront of innovative drug discovery, every medicinal chemist faces the challenge of rapidly identifying high-quality hit compounds from vast repositories of chemical resources.

The MCE Natural Product Diversity Scaffold Library is the result of a streamlined optimization process built upon our existing natural product collection. Adhering to the rigorous selection principle of "retaining only one representative compound per BMS scaffold", we have concentrated the diversity of thousands of compounds into a high-value, low-redundancy core set containing 2,272 compounds. All compounds are derived from natural sources, inheriting their inherent advantages of structural complexity and drug-likeness. By eliminating redundancy, the library size is significantly reduced without any compromise to chemical diversity. This approach effectively lowers the cost and time required for primary screening while simplifying downstream data analysis and structure-activity relationship (SAR) studies.

Cat. No.	Product Name	Target	Research Area

HY-W024485

SARS-CoV-2-IN-86	SARS-CoV Drug Derivative	Infection
SARS-CoV-2-IN-86 (Compound 2734589) is SARS-CoV-2 methyltransferases nsp14 and nsp16 inhibitor, Andrographolide (HY-N0191) derivative. SARS-CoV-2-IN-86 has low toxicity, and according to toxicity analysis, the predicted LD50 is 700 mg/kg .

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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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