5-phenylamino-1,3,4-oxadiazole-2-carboxylic acid | 66074-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-phenylamino-1,3,4-oxadiazole-2-carboxylic acid
• 英文别名: 5-anilino-[1,3,4]oxadiazole-2-carboxylic acid；5-Anilino-1,3,4-oxadiazole-2-carboxylic acid
• CAS: 66074-31-5
• 化学式: C₉H₇N₃O₃
• 分子量: 205.173
• InChiKey: RZOJWMNMIWFZJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-phenylamino-1,3,4-oxadiazole-2-carboxylic acid 以 乙醇 为溶剂， 生成 2-Phenylamino-1,3,4-oxadiazol
  参考文献：
  名称：

  Werber,G. et al., Journal of Heterocyclic Chemistry, 1977, vol. 14, p. 1385 - 1388

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苯基氨基脲 在 sodium hydroxide 、 溴 、 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 生成 5-phenylamino-1,3,4-oxadiazole-2-carboxylic acid
  参考文献：
  名称：

  Werber,G. et al., Journal of Heterocyclic Chemistry, 1977, vol. 14, p. 1385 - 1388

  摘要：

  DOI：

文献信息

• 1, 3, 4 -OXADIAZOLE DERIVATIVES AS DGAT1 INHIBITORS
  申请人：Johnstone Craig

  公开号：US20100029727A1

  公开（公告）日：2010-02-04

  Compounds of formula (I), or salts thereof, which inhibit acetyl CoA (acetyl coenzyme A):diacylglycerol acyltransferase (DGAT1) activity are provided, wherein: n is 1, 2 or 3 and each R is independently selected from fluoro, chloro, cyano, methyl, ethyl, methoxy, ethoxy, trifluoromethyl, trifluoromethoxy and difluoromethoxy; together with processes for their preparation, pharmaceutical compositions containing them and their use as medicaments.

  提供化学式（I）的化合物或其盐，其抑制乙酰辅酶A（乙酰辅酶A）：二酰基甘油酰基转移酶（DGAT1）活性，其中：n为1、2或3，每个R独立地选择自氟、氯、氰、甲基、乙基、甲氧基、乙氧基、三氟甲基、三氟甲氧基和二氟甲氧基。同时提供其制备过程、含有它们的制药组合物及其作为药物的用途。
• CHEMICAL COMPOUNDS 553
  申请人：BIRCH Alan Martin

  公开号：US20100184813A1

  公开（公告）日：2010-07-22

  DGAT-1 inhibitor compounds of formula (I) and pharmaceutically-acceptable salts thereof are described, together with pharmaceutical compositions, processes for making them and their use in treating, for example, obesity wherein n is 0, 1, 2 or 3, R is independently selected from fluoro, chloro, bromo, trifluoromethyl, methoxy, difluoromethoxy and trifluoromethoxy and Z is carboxy or a mimic or bioisostere thereof, hydroxyl, hydroxymethyl, or —CONRbRc wherein Rb and Rc are independently selected from hydrogen and (1-4C)alkyl, which (1-4C)alkyl group may be optionally substituted by carboxy or a mimic or bioisostere thereof.

  本文描述了化合物(I)及其药学上可接受的盐，以及药物组成物、制备过程和它们在治疗肥胖症等方面的用途。其中n为0、1、2或3，R独立选择自氟、氯、溴、三氟甲基、甲氧基、二氟甲氧基和三氟甲氧基，Z为羧基或其模拟物或生物异构体、羟基、羟甲基或—CONRbRc，其中Rb和Rc独立选择自氢和(1-4C)烷基，该(1-4C)烷基可以选择性地被羧基或其模拟物或生物异构体取代。
• 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。
• COMPOUNDS FOR THE INHIBITION OF DGAT1 ACTIVITY
  申请人：Bennett Stuart Norman Lile

  公开号：US20100173958A1

  公开（公告）日：2010-07-08

  Compounds of formula (I), or salts thereof, which inhibit acetyl CoA(acetyl coenzyme A):diacylglycerol acyltransferase (DGAT1) activity are provided, wherein, for example, R 1 is optionally substituted phenyl or naphthyl; Ring A is selected from (3-6C)cycloalkyl, (5-12C)bicycloalkyl and phenyl; n is 0, 1 or 2; R 2 is, for example, hydrogen, fluoro, chloro or hydroxy; Ring B is selected from (3-6C)cycloalkyl, (5-12C)bicycloalkyl and phenyl; L 1 is a direct bond or a defined linker group and R 3 is, for example, hydroxy, carboxy or (1-6C)alkoxycarbonyl; together with processes for their preparation, pharmaceutical compositions containing them and their use as medicaments.

  提供了化学式为（I）的化合物或其盐，其能够抑制乙酰辅酶A：二酰基甘油酰基转移酶（DGAT1）的活性。其中，例如，R1是可选的取代苯基或萘基；环A选自（3-6C）环烷基，（5-12C）双环烷基和苯基；n为0、1或2；R2是，例如，氢、氟、氯或羟基；环B选自（3-6C）环烷基，（5-12C）双环烷基和苯基；L1是直接键或定义的连接基，R3是，例如，羟基，羧基或（1-6C）烷氧羰基；还提供了制备它们的过程，含有它们的药物组合物以及它们作为药物的用途。
• Noto, Renato; Buccheri, Francesco; Consiglio, Giovanni, Journal of the Chemical Society. Perkin transactions II, 1980, p. 1627 - 1630
  作者：Noto, Renato、Buccheri, Francesco、Consiglio, Giovanni、Spinelli, Domenico

  DOI：——

  日期：——