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148311-89-1

148311-89-1 Structure

148311-89-1 Structure
IdentificationBack Directory
[Name]

Trovirdine (Hydrochloride)
[CAS]

148311-89-1
[Synonyms]

LY 300082
LY-300082
LY 300046 hydrochloride
Trovirdine (Hydrochloride)
1-(5-bromopyridin-2-yl)-3-(2-pyridin-2-ylethyl)thiourea:hydrochloride
[Molecular Formula]

C13H14BrClN4S
[MDL Number]

MFCD00920103
[MOL File]

148311-89-1.mol
[Molecular Weight]

373.699
Hazard InformationBack Directory
[Uses]

Trovirdine hydrochloride, a phenethylthiazolylthiourea (PETT) derivative, is an HIV reverse transcriptase (RT) non-nucleoside inhibitor (NNI). A novel computer model of the RT/NNI binding pocket revealed spatial gaps around Trovirdine hydrochloride's pyridyl ring. Docking studies suggested that replacing this planar ring with a nonplanar piperidinyl or piperazinyl ring could better occupy the binding pocket, enhancing anti-HIV activity. Synthesized heterocyclic compounds based on this modification demonstrated greater potency than Trovirdine hydrochloride, effectively inhibiting HIV replication at nanomolar concentrations without cytotoxicity in infected peripheral blood mononuclear cells[1].
[References]

[1] 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
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