(2S-trans)-1-(3-(Acetylthio)-2(S)-methyl-1-oxopropyl)-2,4-pyrrolidinedicarboxylic acid 4-methyl ester | 133273-59-3

• 英文名称: (2S-trans)-1-(3-(Acetylthio)-2(S)-methyl-1-oxopropyl)-2,4-pyrrolidinedicarboxylic acid 4-methyl ester
• 英文别名: (2S,4R)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]-4-methoxycarbonylpyrrolidine-2-carboxylic acid
• CAS: 133273-59-3
• 化学式: C₁₃H₁₉NO₆S
• 分子量: 317.363
• InChiKey: AAAIYKKKEQZWNE-QNSHHTMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Pharmaceutically active compounds
  申请人：FISONS plc

  公开号：EP0384636A1

  公开（公告）日：1990-08-29

  There are described compounds of formula I, processes for their preparation and pharmaceutical formulations containing them, ZCHR₁COR₂      I in which R₂ is a group of formula II, -NRxCHRyCOOH      II in which Rx and Ry are each alkyl optionally substituted by phenyl; phenylalkyl C7 to 12, phenyl, phenyloxyalkyl, N-alkyl, O-alkyl, or together Rx and Ry may form a heterocyclic group optionally substituted by alkyl, phenyl; phenylalkyl C7 to 12, phenyl, phenyloxyalkyl, N-alkyl, O-alkyl, or one of Rx and Ry may be hydrogen, provided that one of Rx and Ry, the heterocyclic group formed by Rx and Ry or the optional substituents is substituted by one or two groups -COOR₉ R₉ is phenyl, -(CH₂)xCONR₁₄R₁₅, -(CH₂)yCOOR₁₆ or alkyl optionally substituted by phenyl; R₁₄, R₁₅, R₁₆, x and y, are as described in the specification, and pharmaceutically acceptable salts thereof.

  描述了化合物的公式I，其制备过程和含有它们的制药配方，其中R₂是公式II的一个基团，-NRxCHRyCOOH，在其中Rx和Ry各自是可选择由苯基取代的烷基；苯基烷基C7至12，苯基，苯氧基烷基，N-烷基，O-烷基，或者Rx和Ry可以共同形成一个杂环基团，该基团可选择由烷基、苯基取代；苯基烷基C7至12，苯基，苯氧基烷基，N-烷基，O-烷基，或者Rx和Ry中的一个可以是氢，前提是Rx和Ry中的一个，由Rx和Ry形成的杂环基团或可选择的取代基团之一被一个或两个基团取代，-COOR₉R₉是苯基，-(CH₂)xCONR₁₄R₁₅，-(CH₂)yCOOR₁₆或者可选择由苯基取代的烷基；R₁₄，R₁₅，R₁₆，x和y如规范中所述，并且其药学上可接受的盐。