2-(1H-indol-3-yl)ethyl 4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidine-1-carboxylate | 1107617-54-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-(1H-indol-3-yl)ethyl 4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidine-1-carboxylate
• CAS: 1107617-54-8
• 化学式: C₂₅H₂₅N₃O₂
• 分子量: 399.492
• InChiKey: BOTMUFZUGBKPME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS
  申请人：Leonardi Amedeo

  公开号：US20090042841A1

  公开（公告）日：2009-02-12

  This invention relates to novel heterocyclic compounds having selective affinity for the mGlu5 subtype of metabotropic receptors, pharmaceutical compositions thereof and uses for such compounds and compositions in the treatment of lower urinary tract disorders, such as neuromuscular dysfunction of the lower urinary tract, and in the treatment of migraine and gastroesophagael reflux disease (GERD).

  本发明涉及一种新型杂环化合物，其具有选择性亲和力，适用于代谢型受体mGlu5亚型，以及该类化合物的制药组合物及其在治疗下尿路障碍（例如下尿路神经肌肉功能障碍）、偏头痛和胃食管反流病（GERD）方面的用途。
• NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS
  申请人：Recordati Ireland Limited

  公开号：EP2178858B1

  公开（公告）日：2011-12-28
• US8518916B2
  申请人：——

  公开号：US8518916B2

  公开（公告）日：2013-08-27
• [EN] NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES SERVANT D'ANTAGONISTES DU MGLU5
  申请人：RECORDATI IRELAND LTD

  公开号：WO2009015897A1

  公开（公告）日：2009-02-05

  In Compounds I: Z is a group of the formula, m is 0, 1 or 2; n is 0, 1 or 2; Y is a linking group or is absent; R' is H or OH or is absent; ---- is an optional double bond; and R1, R2 and R3 are selected from a wide range of optionally substituted alkyl, cycloalkyl, aryl and heterocyclic groups. Compounds I are mGlu5 antagonists useful for the treatment of neuromuscular dysfunction of the lower urinary tract, migraine and gastroesophagael reflux disease in mammals. Preferred Compounds I are those having the formula