基本情報
- CAS
178870-32-1- 標準SMILES
CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl- InChIKey
YZHIXLCGPOTQNB-UHFFFAOYSA-N- 分子式
- C17H18ClNO2S
- 平均分子量
- 335.8 g/mol
- 単同位体質量
- 335.0746775
概要
UC-781 is a thiocarboxanilide non-nucleoside reverse transcriptase inhibitor (NNRTI). It is a topical microbicide targeted against the AIDS virus.
名称と識別子
- 優先名称
- UC-781
- IUPAC
- N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide
- 英語名
- N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide
- 分子式
- C17H18ClNO2S
- 分子量
- 335.85
名称と別名
UC-781178870-32-1UC 781UC781N-(4-Chloro-3-((3-methylbut-2-en-1-yl)oxy)phenyl)-2-methylfuran-3-carbothioamideL7K247H29HNSC675186NSC-675186N-(4-Chloro-3-((3-methyl-2-butenyl)oxy)phenyl)-2-methyl-3-furancarbothioamideDTXSID101705813-Furancarbothioamide, N-(4-chloro-3-((3-methyl-2-buten-1-yl)oxy)phenyl)-2-methyl-3-Furancarbothioamide, N-(4-chloro-3-((3-methyl-2-butenyl)oxy)phenyl)-2-methyl-
名称をさらに表示
Aids029940Aids-029940N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide3-Furancarbothioamide, N-[4-chloro-3-[(3-methyl-2-buten-1-yl)oxy]phenyl]-2-methyl-
N-{4-CHLORO-3-[(3-METHYLBUT-2-EN-1-YL)OXY]PHENYL}-2-METHYLFURAN-3-CARBOTHIOAMIDERefChem:192864DTXCID3093072ThiocarboxanilideNSC 6751862-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDECHEMBL54893N-[4-Chloro-3-(3-methyl-2-butenyloxy)phenyl]-2-methyl-3-furancarbothioamide
データベース識別子
- CAS
178870-32-1- PubChem CID
- 3000926
- DTXSID
DTXSID10170581- ChEMBL
CHEMBL54893- UNII
- L7K247H29H
- Nikkaji
- J765.277A
物性
構造計算による物性
- XLogP
- 4.9
- 極性表面積
- 66.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 411
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
物理化学的性質
- 沸点
- 440.9 · 440.9±55.0 °C(Predicted)
- 比重(密度)
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 9.78 · 9.78±0.70(Predicted)
化学と産業
薬理情報
Mechanism of Action
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
MeSH Pharmacological ClassificationAgents used to treat RETROVIRIDAE INFECTIONS.
サプライヤー7 社
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
関連反応
3 件
化合物ノート
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