Products 1004316-88-4

CAS 1004316-88-4 appears in our catalog under these names: Cobicistat, 97%, Cobicistat, Cobicistat, >95% (HPLC), Cobicistat (GS–9350), Cobicistat/ 99.62% (existing batch purity). Offered by: Combi-blocks, Chemat Brand, TRC, GLPBio, TargetMol. Available pack sizes: 250mg, 1g, 100mg, on request, 10mg, 50mg, 5mg, 200mg.

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

Cobicistat is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoic acid with the amino group of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate. Acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications.. It has a role as a P450 inhibitor. It is a carbamate ester, a monocarboxylic acid amide, a member of 1,3-thiazoles, a member of morpholines and a member of ureas.

Source: ChEBI

Identity
Molecular formulaC40H53N7O5S2
Molecular weight776.0 g/mol
IUPAC name1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
InChIKeyZCIGNRJZKPOIKD-CQXVEOKZSA-N
SMILESCC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5

Computed by PubChem (NCBI)