U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20ClN3S
Molecular Weight 321.868
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of R-82913

SMILES

C[C@H]1CN2C(=S)NC3=CC(Cl)=CC(CN1CC=C(C)C)=C23

InChI

InChIKey=RCSLUNOLLUVOOG-NSHDSACASA-N
InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20ClN3S
Molecular Weight 321.868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and anti-HIV-1 activity of 4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-on e (TIBO) derivatives. 2.
1991 Nov
Chimeric human immunodeficiency virus type 1/type 2 reverse transcriptases display reversed sensitivity to nonnucleoside analog inhibitors.
1991 Nov 1
Comprehensive mutant enzyme and viral variant assessment of human immunodeficiency virus type 1 reverse transcriptase resistance to nonnucleoside inhibitors.
1993 Aug
Human immunodeficiency virus type 1 (HIV-1) strains selected for resistance against the HIV-1-specific [2',5'-bis-O-(tert-butyldimethylsilyl)-3'-spiro- 5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)]-beta-D-pentofurano syl (TSAO) nucleoside analogues retain sensitivity to HIV-1-specific nonnucleoside inhibitors.
1993 Aug 1
Human immunodeficiency virus type 1-specific [2',5'-bis-O-(tert- butyldimethylsilyl)-beta-D-ribofuranosyl]-3'-spiro-5"-(4"-amino-1",2"- oxathiole-2",2"-dioxide)-purine analogues show a resistance spectrum that is different from that of the human immunodeficiency virus type 1-specific non-nucleoside analogues.
1993 Jan
Bicyclic imidazo derivatives, a new class of highly selective inhibitors for the human immunodeficiency virus type 1.
1994 Aug
New tetrahydroimidazo[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one and -thione derivatives are potent inhibitors of human immunodeficiency virus type 1 replication and are synergistic with 2',3'-dideoxynucleoside analogs.
1994 Dec
Resistance pattern of human immunodeficiency virus type 1 reverse transcriptase to quinoxaline S-2720.
1994 Dec
Synthesis and anti-HIV-1 activity of 4,5,6,7-tetrahydro-5-methylimidazo-[4,5,1-jk][1,4]benzodiazepin- 2(1H)-one (TlBO) derivatives. 4.
1995 Mar 3
Design, synthesis, biological evaluation, and molecular modeling studies of TIBO-like cyclic sulfones as non-nucleoside HIV-1 reverse transcriptase inhibitors.
2006 Jan
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:10:21 GMT 2023
Edited
by admin
on Fri Dec 15 18:10:21 GMT 2023
Record UNII
4FOI87E52P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
R-82913
Common Name English
TIBO-R-82913
Code English
NSC-637653
Code English
9CL-TIBO
Common Name English
IMIDAZO(4,5,1-JK)(1,4)BENZODIAZEPINE-2(1H)-THIONE, 9-CHLORO-4,5,6,7-TETRAHYDRO-5-METHYL-6-(3-METHYL-2-BUTEN-1-YL)-, (5S)-
Systematic Name English
Code System Code Type Description
DRUG BANK
DB08598
Created by admin on Fri Dec 15 18:10:21 GMT 2023 , Edited by admin on Fri Dec 15 18:10:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID30155158
Created by admin on Fri Dec 15 18:10:21 GMT 2023 , Edited by admin on Fri Dec 15 18:10:21 GMT 2023
PRIMARY
CAS
126347-69-1
Created by admin on Fri Dec 15 18:10:21 GMT 2023 , Edited by admin on Fri Dec 15 18:10:21 GMT 2023
PRIMARY
FDA UNII
4FOI87E52P
Created by admin on Fri Dec 15 18:10:21 GMT 2023 , Edited by admin on Fri Dec 15 18:10:21 GMT 2023
PRIMARY
PUBCHEM
3000237
Created by admin on Fri Dec 15 18:10:21 GMT 2023 , Edited by admin on Fri Dec 15 18:10:21 GMT 2023
PRIMARY
NSC
637653
Created by admin on Fri Dec 15 18:10:21 GMT 2023 , Edited by admin on Fri Dec 15 18:10:21 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY