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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 is a potent inhibitor of cytochrome P450 3A enzymes, including the important CYP3A4 subtype. It also inhibits intestinal transport proteins, increasing the overall absorption of several HIV medications, including atazanavir, darunavir and tenof ......by BOC Sciences
Cobicistat is a potent, and selective inhibitor of cytochrome P450 3A (CYP3A) enzymes with IC50 of 30-285 nM. ......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

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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
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Safety Data of Cobicistat

8

Spectral Information

9

Suppliers List

Company Price and Availability Country/Region
AOBIOUS INC 1mg/USD30() USA
BOC Sciences 25mg/USD298(In stock)
Biochempartner Co., Ltd China
CHEMSCENE, LLC 5mg/USD90();10mg/USD150() USA
MedChemexpress Co., Ltd. 5mg/USD90();10mg/USD150() USA
Selleck Chemicals LLC 5mg/USD270(In stock);10mg/USD370(In stock);200mg/USD2470(In stock) USA
Shanghai Haoyuan Chemexpress Co., Ltd. 5mg/USD90();10mg/USD150() China
Shanghai Sun-shine Chemical Technology Co., Ltd. China
Target Molecule Corp. 2mg/USD95();5mg/USD166();10mg/USD218();25mg/USD398();50mg/USD568() USA
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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 142128-59-4 C26H28Cl2N4O4 531.4309
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
Bergaptol 486-60-2 C11H6O4 202.1629
Talarozole (R enantiomer) 870093-23-5 C21H23N5S 377.5058
Choline Fenofibrate 856676-23-8 C22H28ClNO5 421.91
Talarozole 201410-53-9 C21H23N5S 377.51
Isavuconazole 241479-67-4 C22H17F2N5OS 437.4650864
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

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References

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More Information

Cobicistat

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