COBICISTAT structure, CAS 1004316-88-4

COBICISTAT

CAS Number1004316-88-4

SynonymsGS 9350; Cobicistat [USAN]; Cobicistat; GS-9350; Tybost (TN)

Molecular FormulaC40H53N7O5S2

Molecular Weight776.023

Purity

Density1.2±0.1 g/cm3

Boiling Point974.5±65.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-1168305 Purity:
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Quality Control of [ 1004316-88-4 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number1004316-88-4
Catalog No.2A-1168305
Chinese Name可比司他
SynonymsGS 9350; Cobicistat [USAN]; Cobicistat; GS-9350; Tybost (TN)
Molecular FormulaC40H53N7O5S2
Molecular Weight776.023
Density1.2±0.1 g/cm3
Boiling Point974.5±65.0 °C at 760 mmHg
Storage ConditionRoom temperature, dry, sealed
ApplicationCobicistat is a potent, selective cytochrome P450 3A (CYP3A) inhibitor with IC50 values ​​of 30-285 nM.
PubChem ID57245301
SMILESCC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
InChIInChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1
InChI KeyZCIGNRJZKPOIKD-CQXVEOKZSA-N
Transport InfoProduct name: Cobicistat (GS-9350)
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