Elvitegravir

Description: Elvitegravir / GS-9137 / JTK-303 is an HIV integrase inhibitor for HIV-1 IIIB, HIV-2 EHO and HIV-2 ROD with IC50 of 0.7 nM, 2.8 nM and 1.4 nM in cell-free assays, respectively.

• Catalog: OFC697761981
• CAS: 697761-98-1
• Category: Fluorinated APIs
• Synonyms: GS-9137; JTK-303
• Purity: >98%

• IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
• InChI Key: JUZYLCPPVHEVSV-LJQANCHMSA-N
• Isomeric SMILES: CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O
• EC Number: 691-248-4

• Molecular Formula: C23H23ClFNO5
• Molecular Weight: 447.88
• Appearance: White to off-white solid powder

• XLogP3-AA: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 447.1248787 g/mol
• Monoisotopic Mass: 447.1248787 g/mol
• Topological Polar Surface Area: 87.1Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 702