| Identification | Back Directory | [Name]
4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione | [CAS]
137332-54-8 | [Synonyms]
R-86183
8-Cltibo
Nsc636661
Aids002738
Aids-002738
8-Chloro-TIBO
4,5,6,7-Tetrahydro-5α-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
(5S)-6-(3-Methyl-2-butenyl)-4,5,6,7-tetrahydro-5α-methyl-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
(+)-(S)-4,5,6,7-Tetrahydro-8-chloro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine-2-(1H)-thione | [Molecular Formula]
C16H20ClN3S | [MDL Number]
MFCD00914288 | [MOL File]
137332-54-8.mol | [Molecular Weight]
321.874 |
| Chemical Properties | Back Directory | [Boiling point ]
441.864±55.00 °C(Press: 760.00 Torr)(predicted) | [density ]
1.308±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | [pka]
9.372±0.40(predicted) |
| Hazard Information | Back Directory | [Uses]
Tivirapine (R86183) is a nonnucleoside HIV-1 RT inhibitor against HIV-1-induced cytopathic effects with an EC50 value of 4 nM. Tivirapine inhibits the Yl8lC mutant of HIV-1 RT[1]. | [References]
[1] Ding J, et al. Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors. Nat Struct Biol. 1995 May;2(5):407-15. DOI:10.1038/nsb0595-407
[2] Zhou Z, et al. Relative free energy of binding and binding mode calculations of HIV-1 RT inhibitors based on dock-MM-PB/GS. Proteins. 2004 Nov 15;57(3):493-503. DOI:10.1002/prot.20223 |
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