CAS 916489-36-6 appears in our catalog under these names: MS417/ 99.88% (existing batch purity), MS417 (GTPL7512), MS417, MS417 99%, 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. Offered by: TargetMol, GLPBio, Biosynth, Ambeed, Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, 100mg, 200mg, 250mg, 1g.
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 methyl ester, a member of monochlorobenzenes and a thienotriazolodiazepine. It is an enantiomer of a MS-566.
Source: ChEBI
| Molecular formula | C20H19ClN4O2S |
|---|---|
| Molecular weight | 414.9 g/mol |
| IUPAC name | 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 |
| InChIKey | GGRCIHACOIMRKY-HNNXBMFYSA-N |
| SMILES | CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)C |
Computed by PubChem (NCBI)