Basic information
- CAS
126320-77-2- Standard SMILES
CC(C)=CCN1Cc2cccc3[nH]c(=S)n(c23)C[C@@H]1C- InChIKey
WTTIBCHOELPGFK-LBPRGKRZSA-N- Molecular formula
- C16H21N3S
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.14561886
Overview
structure given in first source; inhibits HIV-1 replication
Names & identifiers
- Preferred name
- (5S)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
- IUPAC
- (11S)-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione
- English name
- R 82150
- Molecular formula
- C16H21N3S
- Molecular weight
- 287.42304
Names & synonyms
126320-77-2R 82150R82150DTXSID60155141RefChem:906211DTXCID1077632(5S)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thioneR-82150NSC633810(11S)-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-thione(+)-(5S)-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-imidazo(4,5,1jk)(1,4)benzodiazepin-2(1H)-thioneImidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)-, (5S)-
Show more names
TIBOTIBO-R-82150(5S)-6-(3-Methyl-2-butenyl)-4,5,6,7-tetrahydro-5α-methylimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione
CHEMBL46961methyl(3-methylbut-2-enyl)[?]thioneSCHEMBL599870BDBM1433orb1701737SCHEMBL29624058TIBO R82150TIBO-R82150
Database identifiers
- CAS
126320-77-2- PubChem CID
- 3000236
- DTXSID
DTXSID60155141- ChEMBL
CHEMBL46961- Nikkaji
- J404.966G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 416
Chemistry & industry
Applications
DescriptionR 82150 is an antiviral drug and a member of the tetrahydroimidazo[4,5,1-jk]-[1,4]-benzodiazepin-2(1H)-thione family of compound.
UsesR-82150 (TIBO-R 82150) is an HIV-1 reverse transcriptase inhibitor that blocks the reverse transcription of viral RNA by binding to the non-substrate binding site of reverse transcriptase, thereby inhibiting viral replication. R-82150 does not inhibit the replication of HIV-2, other RNA viruses, and DNA viruses[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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