(2S)-1-(biphenyl-4-ylcarbonyl)-4-(methoxyimino)-pyrrolidine-2-carboxylic acid | 863976-41-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-1-(biphenyl-4-ylcarbonyl)-4-(methoxyimino)-pyrrolidine-2-carboxylic acid
• 英文别名: (2S)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylic acid
• CAS: 863976-41-4
• 化学式: C₁₉H₁₈N₂O₄
• 分子量: 338.363
• InChiKey: GDBZIZQYOTYDRJ-KRWDZBQOSA-N

物化性质

• 沸点：
  584.0±60.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  79.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2S)-1-(biphenyl-4-ylcarbonyl)-4-(methoxyimino)-pyrrolidine-2-carboxylic acid 、 氯甲酸乙酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.75h， 生成
  参考文献：
  名称：

  [EN] METHOD FOR PREPARING PYRROLIDINE OXIMES
  [FR] PROCEDE DE PREPARATION D'OXIMES DE PYRROLIDINE

  摘要：

  公开号：

  WO2005082848A3
• 作为产物：
  描述：

  (2S)-1-(biphenyl-4-ylcarbonyl)-4-oxo-pyrrolidine-2-carboxylic acid 、 甲氧基胺盐酸盐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 以71.7%的产率得到(2S)-1-(biphenyl-4-ylcarbonyl)-4-(methoxyimino)-pyrrolidine-2-carboxylic acid
  参考文献：
  名称：

  [EN] METHOD FOR PREPARING PYRROLIDINE OXIMES
  [FR] PROCEDE DE PREPARATION D'OXIMES DE PYRROLIDINE

  摘要：

  公开号：

  WO2005082848A3

文献信息

• Pyrrolidine ester derivatives with oxytocin modulating activity
  申请人：——

  公开号：US20040147511A1

  公开（公告）日：2004-07-29

  The present invention is related to the use of pyrrolidine esters of formula (I) for the treatment and/or prevention of premature labor, premature birth and dysmenorrhea. In particular, the present invention is related to the use of pyrrolidine esters of formula (I) to modulate, notably to antagonise the oxytocin receptor. The present invention is furthermore related to novel pyrrolidine esters. X is selected from the group consisting of CR 6 R 7 , NOR 6 , NNR 6 R 7 ;R is selected from the group comprising or consisting of C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, saturated or unsaturated 3-8-membered cycloalkyl which may contain 1 to 3 heteroatoms selected of N, O, S, aryl, heteroaryl, C 1 -C 6 -alkyl aryl, C 1 -C 6 -alkyl heteroaryl. R 1 is selected from the group comprising or consisting of C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, aryl, heteroaryl, 3-8-membered cycloalkyl, acyl, C 1 -C 6 -alkyl aryl, C 1 -C 6 -alkyl heteroaryl, said cycloalkyl or aryl or heteroaryl groups may be fused with 1-2 further cycloalkyl or aryl or heteroaryl group. 1

  本发明涉及使用式（I）的吡咯烷酯治疗和/或预防早产、早产和痛经。特别是，本发明涉及使用式（I）的吡咯烷酯来调节，尤其是拮抗催产素受体。本发明还涉及新型吡咯烷酯。其中，X选自CR6R7、NOR6、NNR6R7组成的群；R选自C1-C6烷基、C2-C6烯基、C2-C6炔基、饱和或不饱和的含1到3个N、O、S杂原子的3-8环脂肪环烷基、芳基、杂环芳基、C1-C6烷基芳基、C1-C6烷基杂环芳基组成的群；R1选自C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基、杂环芳基、3-8环脂肪环烷基、酰基、C1-C6烷基芳基、C1-C6烷基杂环芳基，所述环烷基或芳基或杂环芳基基团可以与1-2个进一步的环烷基或芳基或杂环芳基基团融合。
• PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES
  申请人：Schwarz Matthias

  公开号：US20070129381A1

  公开（公告）日：2007-06-07

  The present invention is related to the use of pyrrolidine esters of formula (I) for the treatment and/or prevention of premature labor, premature birth and dysmenorrhea. In particular, the present invention is related to the use of pyrrolidine esters of formula (I) to modulate, notably to antagonise the oxytocin receptor. The present invention is furthermore related to novel pyrrolidine esters. X is selected from the group consisting of CR 6 R 7 , NOR 6 , NNR 6 R 7 ; R is selected from the group comprising or consisting of C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, saturated or unsaturated 3-8-membered cycloalkyl which may contain 1 to 3 heteroatoms selected of N, O, S, aryl, heteroaryl, C 1 -C 6 -alkyl aryl, C 1 -C 6 -alkyl heteroaryl. R 1 is selected from the group comprising or consisting of C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, aryl, heteroaryl, 3-8-membered cycloalkyl, acyl, C 1 -C 6 -alkyl aryl, C 1 -C 6 -alkyl heteroaryl, said cycloalkyl or aryl or heteroaryl groups may be fused with 1-2 further cycloalkyl or aryl or heteroaryl group.

  本发明涉及使用式（I）的吡咯烷酯治疗和/或预防早产、早产和痛经。特别地，本发明涉及使用式（I）的吡咯烷酯来调节，特别是拮抗催产素受体。本发明还涉及新型吡咯烷酯。其中，X选自CR6R7、NOR6、NNR6R7组成的群；R选自C1-C6烷基、C2-C6烯基、C2-C6炔基、饱和或不饱和的3-8环成员的环烷基，可含1-3个选自N、O、S、芳基、杂芳基、C1-C6烷基芳基、C1-C6烷基杂芳基的杂原子；R1选自C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基、杂芳基、3-8环成员的环烷基、酰基、C1-C6烷基芳基、C1-C6烷基杂芳基，所述环烷基或芳基或杂芳基基团可以与1-2个进一步的环烷基或芳基或杂芳基基团融合。
• Method for preparing pyrrolidine oximes
  申请人：Nadler William

  公开号：US20070197794A1

  公开（公告）日：2007-08-23

  The present invention is related to a new synthesis for preparing pyrrolidine oximes of general formula (I). The compounds of formula (I) are useful in the treatment and/or prevention of preterm labor, premature birth and dysmenorrhea.

  本发明涉及一种制备通式（I）的吡咯烷肟的新合成方法。式（I）化合物在治疗和/或预防早产、早产和痛经方面是有用的。
• Pyrrolidine ester derivatives active as oxytocin antagonists
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1829861A2

  公开（公告）日：2007-09-05

  The present invention is related to the use of pyrrolidine esters of formula (I) for the treatment and/or prevention of premature labor, premature birth and dysmenorrhea. In particular, the present invention is related to the use of pyrrolidine esters of formula (I) to modulate, notably to antagonise the oxytocin receptor. The present invention is furthermore related to novel pyrrolidine esters. X is selected from the group consisting of CR6R7, NOR6, NNR6R7; R is selected from the group comprising or consisting of C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, saturated or unsaturated 3-8-membered cycloalkyl which may contain 1 to 3 heteroatoms selected of N, O, S, aryl, heteroaryl, C1-C6-alkyl aryl, C1-C6-alkyl heteroaryl. R1 is selected from the group comprising or consisting of C1-C6-alkyl, C2-C6-alkenyl, C2-C6-alkynyl, aryl, heteroaryl, 3-8-membered cycloalkyl, acyl, C1-C6-alkyl aryl, C1-C6-alkyl heteroaryl, said cycloalkyl or aryl or heteroaryl groups may be fused with 1-2 further cycloalkyl or aryl or heteroaryl group.

  本发明涉及式（I）吡咯烷酯用于治疗和/或预防早产、早产和痛经。特别是，本发明涉及使用式（I）吡咯烷酯调节，尤其是拮抗催产素受体。本发明还涉及新型吡咯烷酯。X选自由CR6R7、NOR6、NNR6R7组成的组；R选自由C1-C6烷基、C2-C6烯基、C2-C6炔基、饱和或不饱和3-8元环烷基组成的组，其中可含有1-3个选自N、O、S、芳基、杂芳基、C1-C6-烷基芳基、C1-C6-烷基杂芳基的杂原子。R1 选自包括或组成如下的基团：C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、芳基、杂芳基、3-8 元环烷基、酰基、C1-C6-烷基芳基、C1-C6-烷基杂芳基，所述环烷基或芳基或杂芳基可再与 1-2 个环烷基或芳基或杂芳基融合。
• PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY
  申请人：Laboratoires Serono SA

  公开号：EP1390347B1

  公开（公告）日：2008-05-07