methyl 4-(5-(5-(3-chloro-4-fluorophenylamino)-1,3,4-oxadiazole-2-carboxamido)pyridin-2-yloxy)benzoate | 1124174-24-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 4-(5-(5-(3-chloro-4-fluorophenylamino)-1,3,4-oxadiazole-2-carboxamido)pyridin-2-yloxy)benzoate
• 英文别名: methyl 4-[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]pyridin-2-yl]oxybenzoate
• CAS: 1124174-24-8
• 化学式: C₂₂H₁₅ClFN₅O₅
• 分子量: 483.843
• InChiKey: BPWJGARRQPKQDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  methyl 4-(5-(5-(3-chloro-4-fluorophenylamino)-1,3,4-oxadiazole-2-carboxamido)pyridin-2-yloxy)benzoate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 以26.4%的产率得到4-(5-(5-(3-chloro-4-fluorophenylamino)-1,3,4-oxadiazole-2-carboxamido)pyridin-2-yloxy)benzoic acid
  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：

  methyl 4-(5-(2-hydrazinyl-2-oxoacetamido)pyridin-2-yloxy)benzoate 、 3-氯-4-氟苯基异硫氰酸酯 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 异丁酰胺 为溶剂， 反应 1.5h， 以100%的产率得到methyl 4-(5-(5-(3-chloro-4-fluorophenylamino)-1,3,4-oxadiazole-2-carboxamido)pyridin-2-yloxy)benzoate
  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.
• [EN] OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS<br/>[FR] COMPOSÉS CHIMIQUES 979
  申请人：ASTRAZENECA AB

  公开号：WO2009024821A3

  公开（公告）日：2009-04-09