Dolutegravir

Description: Dolutegravir / GSK1349572 is a potent inhibitor of HIV integrase with an IC50 value of 2.7 nM for HIV-1 integrase-catalyzed strand transfer in vitro.1 It inhibits HIV-1 viral replication (EC50 = 0.51 nM) in peripheral blood mononuclear cells (PBMCs). Dolutegravir (DTG) is an antiretroviral medication used, together with other medication, to treat HIV/AIDS. It may also be used, as part of post exposure prophylaxis, to prevent HIV infection following potential exposure

• Catalog: OFC1051375166
• CAS: 1051375-16-6
• Category: Fluorinated APIs
• Synonyms: GSK1349572
• Purity: >98%

• IUPAC Name: (3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
• InChI: InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1
• InChI Key: RHWKPHLQXYSBKR-BMIGLBTASA-N
• Isomeric SMILES: C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
• EC Number: 809-888-1

• Molecular Formula: C20H19F2N3O5
• Molecular Weight: 419.38
• Appearance: White to off-white solid powder

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 419.12927704 g/mol
• Monoisotopic Mass: 419.12927704 g/mol
• Topological Polar Surface Area: 99.2Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 829