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· · COA & SDS available for every product · Same-day shipping on in-stock items Cobicistat (GS-9350) - Moligand™, 10mM in DMSO , Cytochrome P450 3A inhibitor, CAS No.1004316-88-4, Cytochrome P450 3A inhibitor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO Synonyms
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 [WHO-DD] | Thiazol-5-ylmethyl ((1R,4R)-1-benzyl-4-(((2S)-2-((methy
Shipped In
Dry ice packs + Cold packs
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Why this grade Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Cobicistat (GS-9350) is a potent and selective inhibitor of CYP3A with IC50 of 30-285 nM.
Specifications Synonyms
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 [WHO-DD] | Thiazol-5-ylmethyl ((1R, 4R)-1-benzyl-4-(((2S)-2-((methy
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
Cobicistat is a drug under experimental investigation for use in the treatment of infection with the human immunodeficiency virus (HIV). Like ritonovir (Norvir), cobicistat is of interest not for its anti-HIV properties, but rather its ab
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Cytochrome P450 3A inhibitor
Product Properties Names and Identifiers Canonical Smiles CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5 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 InChIKey ZCIGNRJZKPOIKD-CQXVEOKZSA-N 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 Isomeric SMILES CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5 Molecular Weight 776.02 Reaxy-Rn 23992091 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23992091&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent N-carbamoyl-alpha amino acids and derivatives Alternative Parents Alpha amino acid amides Amphetamines and derivatives 2,4-disubstituted thiazoles N-acyl amines Morpholines Heteroaromatic compounds Carbamate esters Ureas Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Fatty amide - Morpholine - N-acyl-amine - Oxazinane - Benzenoid - Fatty acyl - Carbamic acid ester - Thiazole - Heteroaromatic compound - Azole - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom. External Descriptors carbamate ester - ureas - monocarboxylic acid amide - 1,3-thiazole - morpholines Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 776.000 g/mol XLogP3 5.700 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 20 Exact Mass 775.355 Da Monoisotopic Mass 775.355 Da Topological Polar Surface Area 195.000 Ų Heavy Atom Count 54 Formal Charge 0 Complexity 1120.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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