(E)-2-phenyl-3-[4-(1-pyrrolidinylmethyl)phenyl]-2-propenoic acid hydrochloride | 742085-14-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-2-phenyl-3-[4-(1-pyrrolidinylmethyl)phenyl]-2-propenoic acid hydrochloride
• 英文别名: (E)-2-phenyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride
• CAS: 742085-14-9
• 化学式: C₂₀H₂₁NO₂*ClH
• 分子量: 343.853
• InChiKey: WASVIVPPDVDJOW-UGAWPWHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.33
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  α-溴苯乙酸乙酯 在 亚磷酸三乙酯 、 sodium hydride 、 4-(吡咯烷-1-甲基)苯甲醛 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.17h， 生成 (E)-2-phenyl-3-[4-(1-pyrrolidinylmethyl)phenyl]-2-propenoic acid hydrochloride
  参考文献：
  名称：

  EP1593667

  摘要：

  公开号：

文献信息

• Amine derivative
  申请人：Ishihara Yuji

  公开号：US20060128690A1

  公开（公告）日：2006-06-15

  The present invention provides a compound represented by the formula wherein Ar 1 is a cyclic group optionally having substituent(s); R is a hydrogen atom, an optionally halogenated C 1-6 alkyl, a phenyl optionally having substituent(s) or a pyridyl optionally having substituent(s); Ra 1 , Ra 2 , Ra 3 and Ra 4 are the same or different and each is a hydrogen atom, an optionally halogenated C 1-6 alkyl or the like; Ar is a monocyclic aromatic ring optionally having substituent(s); Y is an optionally halogenated alkylene group; and R 1 and R 2 are (1) the same or different and each is a hydrogen atom or a C 1-6 alkyl, (2) R 1 and R 2 form a nitrogen-containing heterocycle optionally having substituent(s) together with the adjacent nitrogen atom, or (3) R 1 and Y form a nitrogen-containing heterocycle optionally having substituent(s) together with the adjacent nitrogen atom, and R 2 is a hydrogen atom or a C 1-6 alkyl; provided that when the nitrogen-containing heterocycle formed by R 1 and R 2 together with the adjacent nitrogen atom is a piperazine, or when R is a C 1-4 alkyl, Ar 1 is a cyclic group having substituent(s), or a salt thereof, having a melanin-concentrating hormone antagonistic action and useful as an agent for the prophylaxis or treatment of obesity and the like.

  本发明提供了一种化合物，其表示为式子： 其中，Ar1是一个环状基团，可以具有取代基；R是氢原子，可选卤代的C1-6烷基，苯环，可以具有取代基，或者吡啶环，可以具有取代基；Ra1，Ra2，Ra3和Ra4相同或不同，每个都是氢原子，可选卤代的C1-6烷基或类似物；Ar是一个单环芳香环，可以具有取代基；Y是可选卤代的脂肪族烷基；R1和R2是（1）相同或不同，每个都是氢原子或C1-6烷基，（2）R1和R2与相邻的氮原子一起形成含氮杂环，可以具有取代基，或（3）R1和Y与相邻的氮原子一起形成含氮杂环，可以具有取代基，并且R2是氢原子或C1-6烷基；但是当R1和R2与相邻的氮原子一起形成哌嗪环，或当R是C1-4烷基，Ar1是具有取代基的环状基团或其盐时，该化合物具有黑色素浓集激素拮抗作用，可用作预防或治疗肥胖症等药物。
• AMINE DERIVATIVE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1593667A1

  公开（公告）日：2005-11-09

  The present invention provides a compound represented by the formula wherein Ar1 is a cyclic group optionally having substituent(s); R is a hydrogen atom, an optionally halogenated C1-6 alkyl, a phenyl optionally having substituent(s) or a pyridyl optionally having substituent(s); Ra1, Ra2, Ra3 and Ra4 are the same or different and each is a hydrogen atom, an optionally halogenated C1-6 alkyl or the like; Ar is a monocyclic aromatic ring optionally having substituent(s); Y is an optionally halogenated alkylene group; and R1 and R2 are (1) the same or different and each is a hydrogen atom or a C1-6 alkyl, (2) R1 and R2 form a nitrogen-containing heterocycle optionally having substituent(s) together with the adjacent nitrogen atom, or (3) R1 and Y form a nitrogen-containing heterocycle optionally having substituent(s) together with the adjacent nitrogen atom, and R2 is a hydrogen atom or a C1-6 alkyl; provided that when the nitrogen-containing heterocycle formed by R1 and R2 together with the adjacent nitrogen atom is a piperazine, or when R is a C1-4 alkyl, Ar1 is a cyclic group having substituent(s), or a salt thereof, having a melanin-concentrating hormone antagonistic action and useful as an agent for the prophylaxis or treatment of obesity and the like.

  本发明提供了一种由式表示的化合物 其中 Ar1 是任选具有取代基的环状基团； R 是氢原子、任选卤化的 C1-6 烷基、任选具有取代基的苯基或任选具有取代基的吡啶基； Ra1、Ra2、Ra3 和 Ra4 相同或不同，各自为氢原子、任选卤代的 C1-6 烷基或类似物； Ar 是单环芳香环，可选择具有取代基； Y 是任选卤代亚烷基；以及 R1 和 R2 (1) 相同或不同，且各自为氢原子或 C1-6 烷基；(2) R1 和 R2 组成含氮杂环，可选择与相邻氮原子一起具有取代基；或 (3) R1 和 Y 组成含氮杂环，可选择与相邻氮原子一起具有取代基，且 R2 为氢原子或 C1-6 烷基； 条件是当 R1 和 R2 与相邻氮原子一起形成的含氮杂环是哌嗪时，或当 R 是 C1-4 烷基时，Ar1 是具有取代基的环状基团或其盐，具有黑色素浓缩激素拮抗作用，可用作预防或治疗肥胖症等的药物。
• US7601868B2
  申请人：——

  公开号：US7601868B2

  公开（公告）日：2009-10-13