(R)-N-{2-chloro-3-fluoro-4-[4-(N,N-dimethylcarbamoyl)phenylsulphonyl]phenyl}-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide | 329925-80-6

• 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: (R)-N-{2-chloro-3-fluoro-4-[4-(N,N-dimethylcarbamoyl)phenylsulphonyl]phenyl}-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide
• 英文别名: 4-[3-chloro-2-fluoro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide
• CAS: 329925-80-6
• 化学式: C₁₉H₁₇ClF₄N₂O₅S
• 分子量: 496.867
• InChiKey: ZEGRURKYQZTGDL-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (R)-N-{2-chloro-3-fluoro-4-[4-(N,N-dimethylcarbamoyl)phenylsulphonyl]phenyl}-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide 、 2-巯基乙醇 在 sodium methylate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 以12%的产率得到(R)-N-{2-Chloro-3-(2-hydroxyethylthio)-4-[4-(N,N-dimethylcarbamoyl)phenylsulphonyl]phenyl}-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide
  参考文献：
  名称：

  Substituted N-phenyl 2-hydroxy-2-methyl-3,3,3-trifluoropropanamide derivatives which elevate pyruvate dehydrogenase activity

  摘要：

  化合物的化学式（I），其中：n为1或2；R1为氯、氟、溴、甲基或甲氧基；R2如定义；R3如定义；R4为氢或氟；或其药学上可接受的盐或体内可水解的酯。描述了在温血动物（如人类）中使用化合物的化学式（I）来提高PDH活性。详细描述了化合物的化学式（I）的制备的药物组合物、方法和过程。

  公开号：

  US06689909B1

文献信息

• SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY
  申请人：AstraZeneca AB

  公开号：EP1214296B1

  公开（公告）日：2004-03-24
• US6689909B1
  申请人：——

  公开号：US6689909B1

  公开（公告）日：2004-02-10
• [EN] SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY<br/>[FR] DERIVES DE N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE SUBSTITUES DESTINES A AUGMENTER L'ACTIVITE DE PYRUVATE DESHYDROGENASE
  申请人：ASTRAZENECA AB

  公开号：WO2001017956A1

  公开（公告）日：2001-03-15

  A compound of formula (I) wherein: n is 1 or 2; R1 is chloro, fluoro, bromo, methyl or methoxy; R2 is as defined within; R3 is as defined within; and R4 is hydrogen or fluoro; or a pharmaceutically acceptable salt or an in vivo hydrolysable ester thereof is described. The use of compounds of formula (I) in the production of an elevation of PDH activity in a warm-blooded animal such as a human being are also described. Pharmaceutical compositions, methods and processes for preparation of compounds of formula (I) are detailed.
• Substituted N-phenyl 2-hydroxy-2-methyl-3,3,3-trifluoropropanamide derivatives which elevate pyruvate dehydrogenase activity
  申请人：AstraZeneca AB

  公开号：US06689909B1

  公开（公告）日：2004-02-10

  A compound of formula (I) wherein: n is 1 or 2; R1 is chloro, fluoro, bromo, methyl or methoxy; R2 is as defined within; R3 is as defined within; and R4 is hydrogen or fluoro; or a pharmaceutically acceptable salt or an in vivo hydrolysable ester thereof is described. The use of compounds of formula (I) in the production of an elevation of PDH activity in a warm-blooded animal such as a human being are also described. Pharmaceutical compositions, methods and processes for preparation of compounds of formula (I) are detailed.

  化合物的化学式（I），其中：n为1或2；R1为氯、氟、溴、甲基或甲氧基；R2如定义；R3如定义；R4为氢或氟；或其药学上可接受的盐或体内可水解的酯。描述了在温血动物（如人类）中使用化合物的化学式（I）来提高PDH活性。详细描述了化合物的化学式（I）的制备的药物组合物、方法和过程。