Name: Name:1,3-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-yl)butanamido]-1,6-diphenylhexan-2-yl]carbamate
Brand: AABLOCKS
SKU: AA0001WJ
Rating: 90 (10 reviews)

Catalog No.:AA0001WJ

1004316-88-4 | 1,3-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-yl)butanamido]-1,6-diphenylhexan-2-yl]carbamate

Pack Size

Purity

Availability

Price(USD)

Quantity

1mg

≥98%

in stock

$52.00 $36.00

- +

5mg

98%

in stock

$132.00 $93.00

- +

25mg

98%

in stock

$339.00 $237.00

- +

100mg

98%

in stock

$902.00 $632.00

- +

Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA0001WJ

Chemical Name:

1,3-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-yl)butanamido]-1,6-diphenylhexan-2-yl]carbamate

CAS Number:

1004316-88-4

Molecular Formula:

C40H53N7O5S2

Molecular Weight:

776.0227

MDL Number:

MFCD18251449

IUPAC Name:

1,3-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

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

InChI Key:

ZCIGNRJZKPOIKD-CQXVEOKZSA-N

SMILES:

O=C(N[[email protected]@H](Cc1ccccc1)CC[[email protected]](Cc1ccccc1)NC(=O)[[email protected]@H](NC(=O)N(Cc1csc(n1)C(C)C)C)CCN1CCOCC1)OCc1cncs1

UNII:

LW2E03M5PG

Properties

Computed Properties

Complexity:

1120

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

775.355g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

776.028g/mol

Monoisotopic Mass:

775.355g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

195A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.7

Synonyms

9350, GS

cobicistat

GS-9350

GS 9350

UNII-LW2E03M5PG

Cobicistat,GS-9350

CHEBI:72291

LW2E03M5PG

1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate

thiazol-5-ylmethyl (2R,5R)-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-morpholinobutanamido)-1,6-diphenylhexan-2-ylcarbamate

1,3-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

Cobicistat [USAN:INN]

GS 9350

cobicistatum

2,7,10,12-Tetraazatridecanoic acid, 12-methyl-13-(2-(1-methylethyl)-4-thiazolyl)-9-(2-(4-morpholinyl)ethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3R,6R,9S)-

2,7,10,12-Tetraazatridecanoic acid, 12-methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl)ethyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3R,6R,9S)-

Tybost (TN)

cobicistat-gs-9350

Cobicistat; GS-9350

Cobicistat (JAN/USAN/INN)

GTPL7535

SCHEMBL2736227

CHEMBL2095208

GS-9350

DTXSID00143269

QCR-199

ZCIGNRJZKPOIKD-CQXVEOKZSA-N

AOB87771

BCP06630

EX-A2578

BDBM50447471

MFCD18251449

s2900

ZINC85537014

GS9350

AKOS025404908

CS-0742

DB09065

SB16687

KS-00000T52

AC-28961

AS-17061

HY-10493

AB0093115

SW219553-1

Tybost

D09881

AB01566899_01

Thiazol-5-ylmethyl ((1R,4R)-1-benzyl-4-({(2S)-2-((methyl{(2-(1-methylethyl)thiazol-4-yl)methyl}carbamoyl)amino)-4-(morpholin-4-yl)butanoyl}amino)-5-phenylpentyl)carbamate

thiazol-5-ylmethyl ((2R,5R)-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-morpholinobutanamido)-1,6-diphenylhexan-2-yl)carbamate

thiazol-5-ylmethyl N-[(1R,4R)-1-benzyl-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-4-morpholino-butanoyl]amino]-5-phenyl-pentyl]carbamate

?Cobicistat

Cobicistat/darunavir

Cobicistat [USAN]

D02VJP

D0V4ZN

Cobicistat

CS-O-01242

A4313

A11277

1004316-88-4

Cobicistat (GS-9350)

Tybost

Literature

Title: Pharmacokinetic enhancers in HIV therapeutics.

Journal: Clinical pharmacokinetics 20141001

Title: Cobicistat boosts the intestinal absorption of transport substrates, including HIV protease inhibitors and GS-7340, in vitro.

Journal: Antimicrobial agents and chemotherapy 20121001

Title: Effect of cobicistat on glomerular filtration rate in subjects with normal and impaired renal function.

Journal: Journal of acquired immune deficiency syndromes (1999) 20120901

Title: Combinational therapies for HIV: a focus on EVG/COBI/FTC/TDF.

Journal: Expert opinion on pharmacotherapy 20120901

Title: [A single tablet against HIV: new combination preparation improves therapy].

Journal: Deutsche medizinische Wochenschrift (1946) 20120801

Title: Co-formulated elvitegravir, cobicistat, emtricitabine, and tenofovir disoproxil fumarate versus ritonavir-boosted atazanavir plus co-formulated emtricitabine and tenofovir disoproxil fumarate for initial treatment of HIV-1 infection: a randomised, double-blind, phase 3, non-inferiority trial.

Journal: Lancet (London, England) 20120630

Title: Co-formulated elvitegravir, cobicistat, emtricitabine, and tenofovir versus co-formulated efavirenz, emtricitabine, and tenofovir for initial treatment of HIV-1 infection: a randomised, double-blind, phase 3 trial, analysis of results after 48 weeks.

Journal: Lancet (London, England) 20120630

Title: Phase 2 study of cobicistat versus ritonavir each with once-daily atazanavir and fixed-dose emtricitabine/tenofovir df in the initial treatment of HIV infection.

Journal: AIDS (London, England) 20110924

Title: Randomized, phase 2 evaluation of two single-tablet regimens elvitegravir/cobicistat/emtricitabine/tenofovir disoproxil fumarate versus efavirenz/emtricitabine/tenofovir disoproxil fumarate for the initial treatment of HIV infection.

Journal: AIDS (London, England) 20110327

Title: Pharmacokinetics and bioavailability of an integrase and novel pharmacoenhancer-containing single-tablet fixed-dose combination regimen for the treatment of HIV.

Journal: Journal of acquired immune deficiency syndromes (1999) 20101101

Title: Cobicistat (GS-9350): A Potent and Selective Inhibitor of Human CYP3A as a Novel Pharmacoenhancer.

Journal: ACS medicinal chemistry letters 20100812

Title: Pharmacokinetics and pharmacodynamics of GS-9350: a novel pharmacokinetic enhancer without anti-HIV activity.

Journal: Clinical pharmacology and therapeutics 20100301

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