Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H13BrN4S.ClH |
| Molecular Weight | 373.699 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.BrC1=CC=C(NC(=S)NCCC2=CC=CC=N2)N=C1
InChI
InChIKey=IUQKLSJRANLIKE-UHFFFAOYSA-N
InChI=1S/C13H13BrN4S.ClH/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11;/h1-5,7,9H,6,8H2,(H2,16,17,18,19);1H
Trovirdine [LY 300046, LY 300082, PETT 1] is a NNRT inhibitor of HIV-1 RT, which progressed through Phase II trials for the treatment of HIV infection. Trovirdine inhibits HIV-1 RT with an IC50 of 7 nM. Cell culture experiments demonstrated that LY300046 was a potent inhibitor of the replication of HIV-1 in human T-cell lines and human PBL, including spread of the virus from infected to uninfected T cells. It was potent against patient isolates as well as laboratory isolates of HIV-1 but was not active against HIV-2 or simian immunodeficiency virus.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs. | 1996 Oct 11 |
|
| Structure-based design of N-[2-(1-piperidinylethyl)]-N'-[2-(5-bromopyridyl)]-thiourea and N-[2-(1-piperazinylethyl)]-N'-[2-(5-bromopyridyl)]-thiourea as potent non-nucleoside inhibitors of HIV-1 reverse transcriptase. | 1998 Aug 18 |
|
| Structure-based design of non-nucleoside reverse transcriptase inhibitors of drug-resistant human immunodeficiency virus. | 1999 Sep |
|
| Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives. | 2005 Jun 2 |
Patents
Sample Use Guides
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5327620
Created by
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70714531RJ
Created by
admin on Fri Dec 15 17:35:14 GMT 2023 , Edited by admin on Fri Dec 15 17:35:14 GMT 2023
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148311-89-1
Created by
admin on Fri Dec 15 17:35:14 GMT 2023 , Edited by admin on Fri Dec 15 17:35:14 GMT 2023
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ACTIVE MOIETY
SUBSTANCE RECORD
