-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
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- HCV Protease
- Hepatitis B Virus (HBV)
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- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Orthopoxvirus
- Others
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Virus Protease
- Antiviral intermediates
MS417
![{PARAM:[Name]}()](https://resource.bocsci.com/structure/916489-36-6.gif)
| Category | Human immunodeficiency Virus (HIV) |
| CAS | 916489-36-6 |
| Description | MS417 is a selective BET-specific BRD4 inhibitor, binds to BRD4-BD1 and BRD4-BD2 with IC50s of 30, 46 nM and Kds of 36.1, 25.4 nM, respectively, with weak selectivity at CBP BRD (IC50, 32.7 μM). |
Product Information
| Synonyms | MS417|916489-36-6|GTPL7512|Methyl [(6s)-4-(4-Chlorophenyl)-2,3,9-Trimethyl-6h-Thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepin-6-Yl]acetate|0S6|4f3i|US9125915, compound 6|CHEMBL3769755|GTPL7512GTPL7512|SCHEMBL12228301|CHEBI:83406|BDBM179283|EX-A3813|MS-417|ZINC95921068|HY-111139|CS-0034388|Q27087803|methyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate|Methyl 2-((6S,Z)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate|methyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate |
| Molecular Weight | 414.91 |
| Molecular Formula | C20H19ClN4O2S |
| Canonical SMILES | CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)C |
| Purity | 99.87% |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Light yellow to yellow (Solid) |
| Storage | 4°C, stored under nitrogen * In solvent : -80°C 6 months -20°C 1 month (stored under nitrogen) |
| Complexity | 627 |
| Exact Mass | 414.0917247 |
| In Vitro | MS417 is a BET-specific BRD4 inhibitor, binds to BRD4-BD1 and BRD4-BD2 with IC50s of 30, 46 nM and Kds of 36.1, 25.4 nM, respectively, with less selectivity at CBP BrD (IC50, 32.7 μM). MS417 effectively blocks BRD4 binding to NF-κB, almost completely suppresses TNFα-induced NF-κB transcription activation in human embryonic kidney 293T cells at 1 μM and also reduces NF-κB p65 acetylation in the HIV-infected RTECs. MS417 (1 μM) modulation of gene transcription in HIV-infected human primary renal tubular epithelial cells. In addition, MS417 suppresses NF-κB-targeted cytokines and chemokines. |
| In Vivo | MS417 (0.08 mg/kg) markedly improves renal function, reduces proteinuria and decreases glomerulosclerosis, tubular injury, and infiltration of inflammatory cells in the kidney of Tg26 mice. |
| Target | IC50: 30 nM (BRD4-BD1), 46 nM (BRD4-BD2), 32.7 μM (CBP BRD) Kd: 36.1 nM (BRD4-BD1), 25.4 nM (BRD4-BD2) |
| XLogP3-AA | 3.9 |
