11-Cyclopropyl-5,11-dihydro-4-[[(methylsulfonyl)oxy]methyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one-d2

CAS: 1046462-02-5

Ref. TR-C992012

Product Information

• Name: 11-Cyclopropyl-5,11-dihydro-4-[[(methylsulfonyl)oxy]methyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one-d2
• Synonyms: (11-Cyclopropyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-4-yl)methyl methanesulfonate-d2
• Brand: TRC

Description

Applications 11-Cyclopropyl-5,11-dihydro-4-[[(methylsulfonyl)oxy]methyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one is an intermediate in synthesizing Nevirapine-d2 (N391276), an isotope labelled Nevirapine (N391275), which acts as a potent (IC50=84nM) and selective non-nucleoside inhibitor of HIV-1 reverse transcriptase. Antiviral.
References Hargrave, K.D., et al.: J. Med. Chem., 34, 2231 (1991); Cheeseman, S.H., et al.: Antimicrob. Agents Chemother., 37, 178 (1993); Guay, L.A., et al.: Lancet, 354, 795 (1999)

Chemical properties

• Molecular weight: 362.4
• Formula: C₁₆H₁₄D₂N₄O₄S
• Color/Form: Neat
• InChI: InChI=1S/C16H16N4O4S/c1-25(22,23)24-9-10-6-8-18-15-13(10)19-16(21)12-3-2-7-17-14(12)20(15)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,19,21)/i9D2
• InChI key: InChIKey=ZQMZOPFQGXZCTG-KNXIQCGSSA-N
• SMILES: [2H]C([2H])(OS(C)(=O)=O)c1ccnc2c1NC(=O)c1cccnc1N2C1CC1