| Identification | Back Directory | [Name]
MS417 | [CAS]
916489-36-6 | [Synonyms]
MS417
GTPL7512
MS-417; M S417
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
(S)-methyl 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
Epigenetic Reader Domain,inhibit,MS417,HIV,MS 417,GTPL 7512,Inhibitor,MS-417,GTPL-7512,Human immunodeficiency virus
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, methyl ester, (6S)- | [Molecular Formula]
C20H19ClN4O2S | [MDL Number]
MFCD20526583 | [MOL File]
916489-36-6.mol | [Molecular Weight]
414.91 |
| Chemical Properties | Back Directory | [Boiling point ]
596.8±60.0 °C(Predicted) | [density ]
1.43±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Ethanol : 50 mg/mL (120.51 mM) | [form ]
Solid | [pka]
1.86±0.60(Predicted) | [color ]
Light yellow to yellow | [InChIKey]
GGRCIHACOIMRKY-HNNXBMFYSA-N | [SMILES]
O=C(OC)C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 |
| Hazard Information | Back Directory | [Uses]
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). | [Definition]
ChEBI: MS-417 is a member of the class of thienotriazolodiazepines that is the methyl ester of [(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]acetic acid. A bromodomain and extra-terminal domain (BET)-specific inhibitor that belongs to a group of thienodiazepine-based compounds It is a thienotriazolodiazepine, a member of monochlorobenzenes and a methyl ester. It is an enantiomer of a MS-566. | [Biological Activity]
MS417a (+)-JQ1 analogis a potent inhibitor of bromodomain-containing protein 4 (BRD4) th at is highly specific for BRD4-BD1 and BRD4-BD2. MS417 binds with similar affinity to BRD4-BD1 and BRD4-BD2 (Kd =36.1and 25.4 nM)while bulky tBu of JQ1 prevents tight binding to the cavity at BD1. | [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[1]. | [References]
[1] Zhang G, et al. Down-regulation of NF-κB transcriptional activity in HIV-associated kidney disease by BRD4 inhibition. J Biol Chem. 2012 Aug 17;287(34):28840-51. DOI:10.1074/jbc.M112.359505 |
|
|