(R)-N-(2-chloro-3-fluoro-4-{4-fluorophenylsulphonyl}phenyl)-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide | 329925-73-7

• 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-fluorophenylsulphonyl}phenyl)-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide
• 英文别名: (2R)-N-[2-chloro-3-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
• CAS: 329925-73-7
• 化学式: C₁₆H₁₁ClF₅NO₄S
• 分子量: 443.779
• InChiKey: OSEMDJCHTKHEOP-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  C.I.酸性橙108 、 (R)-N-(2-chloro-3-fluoro-4-{4-fluorophenylsulphonyl}phenyl)-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide 在 氩 、 氯化铵 、 乙醚 、 水 、 silica 、 Isohexane ethyl acetate 作用下， 以 N-甲基吡咯烷酮 、 methanol-dichloromethane 为溶剂， 反应 24.0h， 以to give the title compound (50 mg) as a gum的产率得到(R)-N-[2-Chloro-3-(2-hydroxyethylamino)-4-(4-fluorophenylsulphonyl)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：

  公式(I)的化合物，其中：n为1或2；R1为氯、氟、溴、甲基或甲氧基；R2和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。还描述了在温血动物（如人类）中使用公式(I)的化合物来提高PDH活性。详细描述了制备公式(I)化合物的制药组合物、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。