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1004316-88-4 (Cobicistat)

1

Identification

Cobicistat Cobicistat
Name Cobicistat
Formula C40H53N7O5S2
MW 776.02
CAS No. 1004316-88-4
EINECS
Smiles CN(C(N[[email protected]@H](CCN1CCOCC1)C(N[[email protected]@H](CC2=CC=CC=C2)CC[[email protected]@H](NC(OCC3=CN=CS3)=O)CC4=CC=CC=C4)=O)=O)CC5=CSC(C(C)C)=N5
Synonyms GS-9350;GS 9350; GS9350; thiazol-5-ylmethyl ((2R,5R)-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-morpholinobutanamido)-1,6-diphenylhexan-2-yl)carbamate
InChI InChI=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
2

Introduction

Cobicistat (GS-9350) is a potent, and selective inhibitor of human cytochrome P450 3A (CYP3A) enzymes (Ki=939 nM). IC50 value: 939 nM (Ki) [1] Target: CYP3A Cobicistat is a novel cytochrome P450 3A4 (CYP3A4) inhibitor in advanced clinical evaluation for use as a pharmacoenhancer of antiretroviral drugs.

Background Information

A selective inhibitor of cytochrome P450 (CYP) 3A enzymes with IC50 values ......by AOBIOUS INC
Cobicistat (GS-9350) is a potent, and selective inhibitor of human cytochrome P450 3A (CYP3A) enzymes (Ki=939 nM). IC50 value: 939 nM (Ki) [1] Target: CYP3A Cobicistat is a novel cytochrome P450 3A4 (CYP3A4) inhibitor in advanced clinical evaluation for use as a pharmacoenhancer of antiretroviral drugs. It lacks significant anti-HIV activity and is more selective than ritonavir in its enzyme inhibition. In addition, its water solubility may lend itself to coformulation with other drugs. Renal adverse effects and a considerable drug interaction potential limit its clinical utility and caution is required when using it. A fixed-dose combination product containing cobicistat in addition to elvitegravir, tenofovir and emtricitabine, and providing a one-pill, once-a-day, antiretroviral regimen was recently approved. ......by MedChemexpress Co., Ltd.
Cobicistat (GS-9350) is a potent and selective inhibitor of CYP3A with IC50 of 30-285 nM. ......by Selleck Chemicals LLC
Cobicistat (GS-9350) is a potent and selective inhibitor of CYP3A with IC50 of 30-285 nM. ......by Target Molecule Corp.
3

Protocol(Only for Reference)

Cell Experiment

Cell lines MT-2
Conditions
Method Five-fold serial dilutions of the tested compounds are prepared in triplicate in 96-well plates. MT-2 cells are added to plates at a density of 20,000/well in a final assay volume of 200μL. After a 5-day incubation at 37 ℃, the cytotoxic effect is determined using a cell viability assay. One hundredμL media is removed from each well and replaced with 100μL of phosphate-buffered saline containing 1.7 mg/mL XTT and 5μg/mL PMS. Following 1-hour incubation at 37 ℃, 20μL of 2% Triton X- 100 is added to each well and absorbance is read at 450 nm with a background subtraction at 650 nm. The data are plotted as cell viability vs. drug concentration. Cell viability is expressed as a percentage of the signal from untreated samples (0% cytotoxicity) after the subtraction of signal from samples treated with 10μM of Podophyllotoxin (100% cytotoxicity). The CC50 value is calculated from the inhibition plots as the concentration of drug which inhibited cell proliferation by 50%.
Source Selleck Chemicals LLC

Animal Experiment

4

Physical and Chemical Properties

Appearance:White to off-white solid EBNumber:EB000024282

Storage condition

Solubility

DMSO by MedChemexpress Co., Ltd.
(25°C) * In vitro DMSO 100 mg/mL (128.86 mM); Ethanol100 mg/mL (128.86 mM); Water<1 mg/mL (<1 mM) by Selleck Chemicals LLC
5

Mechanism and Indication

6

Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
Cobicistat Gilead Sciences Inc HIV-1 infection 2013/9/30 2015/1/31 Phase 3 Clinical
Cobicistat Gilead Sciences Inc HIV-1 infection 2013/3/31 2015/12/31 Phase 3 Clinical
Cobicistat Gilead Sciences Inc HIV-1 infection 2013/3/31 2015/7/31 Phase 3 Clinical
Cobicistat Duke University HIV infection 2012/9/30 2016/9/30 Phase 3 Clinical
Cobicistat Gilead Sciences Inc HIV-1 infection 2011/5/31 2014/3/31 Phase 3 Clinical
Cobicistat - Pre-registration
Cobicistat - Launched
7

Safety Data of Cobicistat

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Spectral Information

9

Suppliers List

Company Price and Availability Country/Region
AOBIOUS INC 1mg/USD30() USA
CHEMSCENE, LLC 5mg/USD175(In stock) USA
MedChemexpress Co., Ltd. 5mg/USD175(In stock);10mg/USD215(In stock);50mg/USD750(In stock);100mg/USD1250(In stock) USA
Selleck Chemicals LLC 5mg/USD270(In stock);10mg/USD370(In stock);200mg/USD2470(In stock) USA
Shanghai Haoyuan Chemexpress Co., Ltd. 5mg/USD190(In stock);10mg/USD250(In stock);50mg/USD750(In stock);100mg/USD1250(In stock) China
Shanghai Sun-shine Chemical Technology Co., Ltd. China
Target Molecule Corp. 2mg/USD95();5mg/USD166();10mg/USD218();25mg/USD398();50mg/USD568() USA
10

Related Products

Other Forms of 1004316-88-4

Name CAS No Formula MW

Recommended Compounds in Cytochrome P450

Name CAS No Formula MW
Dafadine-A 1065506-69-5 C23H25N3O3 391.46
VT-464 (racemate) 1375603-36-3 C18H17F4N3O3 399.34
VT-464 1610537-15-9 C18H17F4N3O3 399.34
Isosilybin 72581-71-6 C25H22O10 482.44
Memantine (hydrochloride) 41100-52-1 C12H22ClN 215.76
Clarithromycin 81103-11-9 C38H69NO13 747.95
(+)-Ketoconazole 142128-59-4 C26H28Cl2N4O4 531.43
Ketoconazole 65277-42-1 C26H28Cl2N4O4 531.43
Galangin 548-83-4
Bergapten 484-20-8 C12H8O4 216.19
Naringin 10236-47-2 C27H32O14 580.53
Diosmetin 520-34-3 C16H12O6 300.26
Fenofibrate 49562-28-9 C20H21ClO4 360.83
4-hydroxy-7H-furo[3,2-g]chromen-7-one 486-60-2 C11H6O4 202.16
(R)-Talarozole 870093-23-5 C21H23N5S 377.51
Choline Fenofibrate 856676-23-8 C22H28ClNO5 421.91
Talarozole 201410-53-9 C21H23N5S 377.51
BAL 4815 241479-67-4 C22H17F2N5OS 437.47
Methoxsalen 298-81-7 C12H8O4 216.19
TAK-700 (R-form) 752243-39-3 C18H17N3O2 307.35

Recommended Compounds in Same Indication

Name CAS No Formula MW
Zidovudine 30516-87-1 C10H13N5O4 267.24
Rifabutin 72559-06-9 C46H62N4O11 847.0
Lersivirine 473921-12-9 C17H18N4O2 310.35
Rilpivirine 500287-72-9 C22H18N6 366.42
AMD-070 558447-26-0 C21H27N5 349.47
Vicriviroc (maleate) 599179-03-0 C32H42F3N5O6 649.7
Darunavir (Ethanolate) 635728-49-3 C29H43N3O8S 593.73
BMS-663068 864953-29-7 C25H26N7O8P 583.49
BMS-663068 (Tris) 864953-39-9 C29H37N8O11P 704.62
Zalcitabine 7481-89-2 C9H13N3O3 211.22
Pafuramidine 186953-56-0 C20H20N4O3 364.4
Atazanavir 198904-31-3 C38H52N6O7 704.86
Tenofovir (Disoproxil Fumarate) 202138-50-9 C23H34N5O14P 635.51
Fosamprenavir (Calcium Salt) 226700-81-8 C25H34CaN3O9PS 623.67
Silibinin 22888-70-6 C25H22O10 482.44
Etravirine 269055-15-4 C20H15BrN6O 435.28
BMS-626529 701213-36-7 C24H23N7O4 473.48
Maraviroc 376348-65-1 C29H41F2N5O 513.67
Elvitegravir 697761-98-1 C23H23ClFNO5 447.88
Triptolide 38748-32-2 C20H24O6 360.4
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Route of Synthesis

12

References

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More Information

Cobicistat

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