N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide
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![N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/376e98008157410ba0add48bfb332e7c.png "N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide")
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide
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CAS No:
178870-32-1
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Formula:
C17H18ClNO2S
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Chemical Name:
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide
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Synonyms:
UC-781; UC1; Thiocarboxanilide; N-[4-Chloro-3-(3-methyl-2-butenyloxy)phenyl]-2-methyl-3-furancarbothioamide; 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE;
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CAS No:
Description
UC-781 is a thiocarboxanilide non-nucleoside reverse transcriptase inhibitor (NNRTI). It is a topical microbicide targeted against the AIDS virus.|N-(4-Chloro-3-((3-Methyl-2-Butenyl)Oxy)Phenyl)-2-Methyl-3-Furancarbothioamide is a thiocarboxanilide non-nucleoside reverse transcriptase inhibitor. UC-781 is a potent inhibitor of reverse transcriptase-dependent pyrophosphorolysis, and purportedly restores the chain-terminating activity of zidovudine (AZT) against AZT-resistant virus.
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide Basic Attributes
335.84800
335.0746777
L7K247H29H
675186
DTXSID10170581
C78046
Drug Information
Investigated for use/treatment in HIV infection.
Agents used to treat RETROVIRIDAE INFECTIONS. (See all compounds classified as Anti-Retroviral Agents.)
UC-781 is an HIV non-nucleoside reverse transcriptase inhibitor (NNRTI) that has shown in vitro to be very active specifically against HIV-1. UC-781 exhibits synergy with the NRTI zidovudine in vitro.[12] The combination of UC-781 and another candidate microbicide, cellulose acetate 1,2-benzenedicarboxylate, resulted in effective synergy for inhibition of HIV-1 in vitro and in peripheral blood mononuclear cells
2-chloro-5-(((2-methyl-3-furanyl)carbonothioyl)amino)phenyl 3-methyl-2-butenyl ether
Computed Properties
Molecular Weight:335.8
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:335.0746777
Monoisotopic Mass:335.0746777
Topological Polar Surface Area:66.5
Heavy Atom Count:22
Complexity:412
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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