1-(2-cyano-5-methylphenyl)-4-[(E)-3-phenyl-prop-2-enylidene]-piperidine | 1239713-37-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(2-cyano-5-methylphenyl)-4-[(E)-3-phenyl-prop-2-enylidene]-piperidine
• 英文别名: 4-methyl-2-[4-[(E)-3-phenylprop-2-enylidene]piperidin-1-yl]benzonitrile
• CAS: 1239713-37-1
• 化学式: C₂₂H₂₂N₂
• 分子量: 314.43
• InChiKey: AHPABKKBAHRBGZ-VMPITWQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES EN TANT QU'ANTAGONISTES DE MGLU5
  申请人：RECORDATI IRELAND LTD

  公开号：WO2010089119A1

  公开（公告）日：2010-08-12

  Novel compounds I (R1 = a mono or bicyclic C1-C9 heterocyclic group containing from 1 to 3 heteroatoms chosen from N, O and S, a phenyl group, a C3-C6 cycloalkyl group, or a C3-C6 cycloalkenyl group, each of which may optionally be substituted; R2 = a mono or bicyclic C1-C9 heterocyclic group containing from 1 to 3 heteroatoms chosen from N, O and S, or a phenyl group, each of which may optionally be substituted; R3 = H, F, CN or an optionally substituted C1-C6 alkyl group, m is 0, 1 or 2; and n is 0, 1 or 2) are antagonists selective for the metabotropic mGlu5 receptor, useful for the treatment of neuromuscular dysfunction of the lower urinary tract in a mammal. Further uses include the treatment of migraine; gastroesophageal reflux disease (GERD); anxiety disorder; abuse, substance dependence and substance withdrawal disorder; neuropathic pain disorder; and fragile X syndrome disorders.

  新化合物 I（其中 R1 = 包含从 1 到 3 个异原子（N、O 和 S）中选择的单环或双环 C1-C9 杂环基团、苯基、C3-C6 环烷基基团或 C3-C6 环烯基基团，每个基团可选择性地被取代；R2 = 包含从 N、O 和 S 中选择的 1 到 3 个异原子的单环或双环 C1-C9 杂环基团或苯基，每个基团可选择性地被取代；R3 = H、F、CN 或可选择性地被取代的 C1-C6 烷基基团，m 为 0、1 或 2；n 为 0、1 或 2）是选择性拮抗剂，用于治疗哺乳动物下尿道神经肌肉功能障碍的代谢型 mGlu5 受体。进一步的用途包括治疗偏头痛；胃食管反流病（GERD）；焦虑症；滥用、物质依赖和物质戒断障碍；神经病性疼痛障碍；以及脆性 X 综合征障碍。
• NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS
  申请人：Leonardi Amedeo

  公开号：US20100317630A1

  公开（公告）日：2010-12-16

  The invention is directed to methods of using antagonists selective for the metabotropic mGlu5 receptor to treat conditions of neuromuscular dysfunction of the lower urinary tract in a mammal. Provided are methods of treating a mammal suffering from a condition of neuromuscular dysfunction of the lower urinary tract by administering a selective mGlu5 antagonist. The selective mGlu5 antagonist may be administered alone or in combination with one or more additional therapeutic agents for treating such a condition. Also provided are methods of identifying selective mGlu5 antagonists that are useful for treating neuromuscular dysfunction of the lower urinary tract in a mammal. Methods for treating migraine and gastroesophageal reflux disease (GERD) using selective mGlu5 antagonists are also disclosed.

  本发明涉及使用选择性拮抗剂对代谢型mGlu5受体的方法，以治疗哺乳动物下尿道神经肌肉功能障碍的病症。提供了通过给予选择性mGlu5拮抗剂治疗患有下尿道神经肌肉功能障碍病症的哺乳动物的方法。选择性mGlu5拮抗剂可以单独或与一种或多种其他治疗剂联合使用以治疗此类病症。还提供了用于治疗偏头痛和胃食管反流病（GERD）的选择性mGlu5拮抗剂的方法。同时提供了用于鉴定对治疗哺乳动物下尿道神经肌肉功能障碍有用的选择性mGlu5拮抗剂的方法。
• HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS
  申请人：Recordati Ireland Limited

  公开号：EP2393780A1

  公开（公告）日：2011-12-14