Products 1268524-70-4

CAS 1268524-70-4 appears in our catalog under these names: (+)-JQ-1, 98%, (+)-JQ1, (S)-(+)-Tert-butyl 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, >95% (HPLC), (+)-JQ-1/ 98%, Bromodomain Inhibitor, (+)–JQ1. Offered by: Combi-blocks, Chemat Brand, TRC, TargetMol, GLPBio. Available pack sizes: 1g, 5g, 250mg, on request, 100mg, 25mg, 5mg, 1mg.

Structural formula: {0} (CAS {1})

JQ1 is a member of the class of thienotriazolodiazepines that is the tert-butyl 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. An inhibitor of bromodomain-containing protein 4 that exhibits anti-cancer and cardioprotective properties. It has a role as a bromodomain-containing protein 4 inhibitor, a ferroptosis inducer, an antineoplastic agent, an angiogenesis inhibitor, an anti-inflammatory agent, an apoptosis inducer and a cardioprotective agent. It is a tert-butyl ester, a carboxylic ester, an organochlorine compound and a thienotriazolodiazepine.

Source: ChEBI

Identity
Molecular formulaC23H25ClN4O2S
Molecular weight457.0 g/mol
IUPAC nametert-butyl 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
InChIKeyDNVXATUJJDPFDM-KRWDZBQOSA-N
SMILESCC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C

Computed by PubChem (NCBI)