BI-RJ 70
Basic information
- CAS
132377-83-4- Standard SMILES
CCn1c2cc(=NN=[N-])ccc-2[n+](C)c(=O)c2cccnc21- InChIKey
APHMGGWRVNQQAC-UHFFFAOYSA-N- Molecular formula
- C15H14N6O
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.12290909
Overview
a tritiated photoaffinity azido analog of nevirapine; structure given in first source
Names & identifiers
- Preferred name
- BI-RJ 70
- IUPAC
- [(11-ethyl-6-methyl-5-oxopyrido[2,3-b][1,5]benzodiazepin-6-ium-9-ylidene)hydrazinylidene]azanide
- English name
- BI-RJ 70
- Molecular weight
- 0
Names & synonyms
132377-83-4BI-RJ 70BI-RJ-70DTXSID70157510RefChem:917145DTXCID30800019-Azido-11-ethyl-6,11-dihydro-6-methyl-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one5H-Pyrido(2,3-b)(1,5)benzodiapin-5-one, 9-azido-11-ethyl-6,11-dihydro-6-methyl-[(11-ethyl-6-methyl-5-oxopyrido[2,3-b][1,5]benzodiazepin-6-ium-9-ylidene)hydrazinylidene]azanide9-azido-11-ethyl-6-methyl-6,11-dihydro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL74690BDBM1643
Show more names
6,11-Dihydro-9-azido-11-ethyl-6-methyl-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one,9-azido-11-ethyl-6,11-dihydro-6-methyl-
orb1698136SCHEMBL29566542Pyridobenzodiazepinone deriv. 45AKOS040750806T304619-azido-11-ethyl-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 9-azido-11-ethyl-6,11-dihydro-6-methyl-9-Azido-6,ll-dihydro-1l-ethyI-6-methyl-5H-pyrido[ 2,3-b][l,5]benzodiazepin-5-one
Database identifiers
- CAS
132377-83-4- PubChem CID
- 72347
- DTXSID
DTXSID70157510- ChEMBL
CHEMBL74690- Nikkaji
- J420.550B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 630
Chemistry & industry
Applications
DescriptionBI-RJ 70 is a tritiated photoaffinity azido analog of nevirapine and can be used to study the binding of nevirapine to HIV-1 transcriptase through covalently labeled enzymes and amino acid residues.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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