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Cobicistat (GS-9350) - Moligand™, ≥97%, high purity , CAS No.1004316-88-4

COA

Grade & Purity:

Moligand™

≥97%

Cas Number: 1004316-88-4
Molecular Weight: 776.02
PubChem CID: 25151504

In stock

Item Number

C767415

Grouped product items
SKU	Size	Availability	Price
C767415-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90
C767415-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90
C767415-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$499.90

View related series

Lipid metabolism (1912) Virus (1811)

Basic Description

Synonyms	GS-9350 \| GS 9350 \| GS9350 \| (3R,6R,9S)-12-Methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl)ethyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoic acid 5-thiazolylmethyl ester
Specifications & Purity	Moligand™, ≥97%
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 ability to inhibit
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Product Description	Cobicistat (GS-9350) is a potent and selective inhibitor of CYP3A with IC50 of 30-285 nM.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 N-carbamoyl-alpha amino acids and derivatives

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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

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
InChIKey	ZCIGNRJZKPOIKD-CQXVEOKZSA-N
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
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
B2528267	Certificate of Analysis	Feb 21, 2025	C767415

Chemical and Physical Properties

Solubility	DMSO: 93 mg/mL (119.8 mM)；H2O: < 1 mg/mL (insoluble or slightly soluble)；Ethanol: 93 mg/mL (119.8 mM)
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 Å²
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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