O-perfluorophenyl 3-(trifluoromethoxy)phenylcarbamothioate | 1124174-10-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: O-perfluorophenyl 3-(trifluoromethoxy)phenylcarbamothioate
• 英文别名: O-(2,3,4,5,6-pentafluorophenyl) N-[3-(trifluoromethoxy)phenyl]carbamothioate
• CAS: 1124174-10-2
• 化学式: C₁₄H₅F₈NO₂S
• 分子量: 403.252
• InChiKey: KMBUGWSBXNQUND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  O-perfluorophenyl 3-(trifluoromethoxy)phenylcarbamothioate 、 methyl cis-4-[5-[(hydrazinecarbonylformyl)amino]pyridin-2-yl]oxycyclohexane-1-carboxylate 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以81%的产率得到(1s,4s)-methyl 4-(5-(5-(3-(trifluoromethoxy)phenylamino)-1,3,4-oxadiazole-2-carboxamido)pyridin-2-yloxy)cyclohexanecarboxylate
  参考文献：
  名称：

  [EN] OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS
  [FR] COMPOSÉS CHIMIQUES 979

  摘要：

  公开号：

  WO2009024821A3
• 作为产物：
  描述：

  氯代二硫代甲酸五氟苯基酯 、 3-三氟甲氧基苯胺 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以56%的产率得到O-perfluorophenyl 3-(trifluoromethoxy)phenylcarbamothioate
  参考文献：
  名称：

  [EN] OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS
  [FR] COMPOSÉS CHIMIQUES 979

  摘要：

  公开号：

  WO2009024821A3

文献信息

• CHEMICAL COMPOUNDS 979
  申请人：Birch Alan Martin

  公开号：US20110092547A1

  公开（公告）日：2011-04-21

  Compounds of formula (I), or pharmaceutically-acceptable salts and/or pro-drugs thereof, which inhibit acetyl CoA(acetyl coenzyme A):diacylglycerol acyltransferase (DGAT1) activity are provided, wherein n is 0 to 3; p is 0 or 1; q is 0 to 2; R 1 and R 2 are, for example, independently fluoro, chloro, bromo, cyano or (1-4C)alkyl; X is —O—, —S— or —NRa— wherein Ra is hydrogen or (1-4C)alkyl; R A1 and R A2 are, for example, independently hydrogen or (1-4C)alkyl; Ring A is a di-linked ring or ring system chosen from (4-6C)cycloalkane, (7-10C)bicycloalkane and (8-12C)tricycloalkane each optionally substituted, for example, by one substituent selected from (1-4C)alkyl, (1-4C)alkoxy and (1-4C)alkoxy(1-4C)alkyl; or Ring A is phenylene optionally substituted, for example, by up to four substituents selected from fluoro, chloro, bromo, cyano, (1-4C)alkyl, (1-4C)alkoxy and (1-4C)alkoxy( 1 -4C)alkyl; together with processes for their preparation, pharmaceutical compositions containing them and their use as medicaments.

  提供公式（I）的化合物，或其药学上可接受的盐和/或前药，其抑制乙酰辅酶A：二酰基甘油酰基转移酶（DGAT1）活性，其中n为0至3；p为0或1；q为0至2；R1和R2例如独立地为氟、氯、溴、氰或（1-4C）烷基；X为—O—、—S—或—NRA—，其中RA为氢或（1-4C）烷基；RA1和RA2例如独立地为氢或（1-4C）烷基；环A为二联环或环系统，选择自（4-6C）环烷、（7-10C）双环烷和（8-12C）三环烷，每个环可选地被一个取代基取代，所述取代基选择自（1-4C）烷基、（1-4C）烷氧基和（1-4C）烷氧基（1-4C）烷基；或环A为苯环，可选地被多达四个取代基取代，所述取代基选择自氟、氯、溴、氰、（1-4C）烷基、（1-4C）烷氧基和（1-4C）烷氧基（1-4C）烷基；以及它们的制备过程、含有它们的药物组合物和它们作为药物的用途。
• [EN] CHEMICAL COMPOUNDS 979<br/>[FR] COMPOSÉS CHIMIQUES 979
  申请人：ASTRAZENECA AB

  公开号：WO2009024821A2

  公开（公告）日：2009-02-26

  Compounds of formula (I), or pharmaceutically-acceptable salts and/or pro-drugs thereof, which inhibit acetyl CoA(acetyl coenzyme A):diacylglycerol acyltransferase (DGAT1) activity are provided, wherein n is 0 to 3; p is 0 or 1; q is 0 to 2; R1and R2are, for example, independently fluoro, chloro, bromo, cyano or (1-4C)alkyl; X is -O-, -S- or -NRa- wherein Ra is hydrogen or (1-4C)alkyl; RA1 and RA2 are, for example, independently hydrogen or (1-4C)alkyl; Ring A is a di-linked ring or ring system chosen from (4-6C)cycloalkane, (7- 10C)bicycloalkane and (8-12C)tricycloalkane each optionally substituted, for example, by one substituent selected from (1-4C)alkyl, (1-4C)alkoxy and (1-4C)alkoxy(1-4C)alkyl; or Ring A is phenylene optionally substituted, for example, by up to four substituents selected from fluoro, chloro, bromo, cyano, (1-4C)alkyl, (1-4C)alkoxy and (1- 4C)alkoxy(1-4C)alkyl; togetherwith processes for their preparation, pharmaceutical compositions containing them and their use as medicaments.