Home Amines 1004316-88-4
1004316-88-4,MFCD18251449
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
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100mg
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$445.00   $311.00
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250mg
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$889.00   $622.00
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1g
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$2,222.00   $1,555.00
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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[C@@H](Cc1ccccc1)CC[C@H](Cc1ccccc1)NC(=O)[C@@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:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
775.355g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
776.028g/mol
Monoisotopic Mass:
775.355g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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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