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· · COA & SDS available for every product · Same-day shipping on in-stock items Brecanavir , HIV-1 protease inhibitor, CAS No.313682-08-5, HIV-1 protease inhibitor
Synonyms
Brecanavir | [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-[[4-[(2-methylthiazol-4-yl)methoxy]phenyl]methyl]propyl]carbamate | GSK 640385 | GW-640385 | AC-31378 | E367I8C
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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.
Specifications Synonyms
Brecanavir | [(3aS, 4R, 6aR)-2, 3, 3a, 4, 5, 6a-hexahydrofuro[2, 3-b]furan-4-yl] N-[(1S, 2R)-3-[1, 3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-[[4-[(2-methylthiazol-4-yl)methoxy]phenyl]methyl]propyl]carbamate | GSK 640385 | GW-640385 | AC-31378 | E367I8C
Mechanism of action
HIV-1 protease inhibitor
Product Properties Names and Identifiers Canonical Smiles CC1=NC(=CS1)COC2=CC=C(C=C2)CC(C(CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)OCO4)O)NC(=O)OC5COC6C5CCO6 IUPAC Name [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate InChIKey JORVRJNILJXMMG-OLNQLETPSA-N INCHI 1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31 Isomeric SMILES CC1=NC(=CS1)COC2=CC=C(C=C2)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6 PubChem CID 5743186 Molecular Weight 703.8
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 Benzenoids Class Benzene and substituted derivatives Subclass Phenylbutylamines Intermediate Tree Nodes Not available Direct Parent Phenylbutylamines Alternative Parents Amphetamines and derivatives Benzodioxoles Phenoxy compounds Phenol ethers Furofurans 2,4-disubstituted thiazoles Alkyl aryl ethers Organosulfonamides Tetrahydrofurans Aminosulfonyl compounds Heteroaromatic compounds Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylbutylamine - Amphetamine or derivatives - Benzodioxole - Phenoxy compound - Furofuran - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Organosulfonic acid amide - Azole - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Carbamic acid ester - Thiazole - Tetrahydrofuran - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Secondary alcohol - Carbonic acid derivative - Acetal - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine. External Descriptors Not available 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 703.800 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 13 Rotatable Bond Count 15 Exact Mass 703.223 Da Monoisotopic Mass 703.223 Da Topological Polar Surface Area 192.000 Ų Heavy Atom Count 48 Formal Charge 0 Complexity 1150.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 5 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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