BMS-707035

• CAT Number: I004717
• CAS Number: 729607-74-3
• Molecular Formula: C17H19FN4O5S
• Molecular Weight: 410.4
• Purity: ≥95%
• Synonyms: 2-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
• Target: HIV Integrase
• Solubility: 10 mM in DMSO
• Storage: 3 years -20℃ powder
• IC50: 15 nM
• InChI: InChI=1S/C17H19FN4O5S/c1-21-16(25)14(23)13(15(24)19-10-11-4-6-12(18)7-5-11)20-17(21)22-8-2-3-9-28(22,26)27/h4-7,23H,2-3,8-10H2,1H3,(H,19,24)
• InChIKey: VNIWZCGZPBJWBI-UHFFFAOYSA-N
• SMILES: CN1C(=O)C(=C(N=C1N2CCCCS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F)O

BMS-707035 (Cat.No:I004717) is a specific inhibitor of HIV-1 integrase (IN) with an IC50 of 15nM, currently in Phase 2 of clinical trials. It is a pyrimidinone analogue similar to Raltegravir, the first integrase inhibitor to be approved for clinical use. BMS-707035 is an effective and reversible inhibitor of HIV IN transferase activity, with some resistance observed in certain IN mutations. Its binding affinity to IN is influenced by the U5 long terminal repeat (LTR) sequence and its interaction with Gln.

Reference

[1]. Cotelle P.,3-Hydroxy-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9H)-ones as new HIV-1 integrase inhibitors WO2011046873 A1.,Expert Opin Ther Pat. 2011 Nov;21(11):1799-804.
[2]. Al-Mawsawi LQ, Al-Safi RI, Neamati N.,Anti-infectives: clinical progress of HIV-1 integrase inhibitors.,Expert Opin Emerg Drugs. 2008 Jun;13(2):213-25.
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[4]. Dicker IB, et al. Changes to the HIV long terminal repeat and to HIV integrase differentially impact HIV integrase assembly, activity, and the binding of strand transfer inhibitors. J Biol Chem. 2007 Oct 26;282(43):31186-96.