7-chloro-2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-chloro-2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline
• 化学式: C₂₉H₂₃ClN₆
• 分子量: 491.0
• InChiKey: PHKWCVXQSZURIP-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them
  申请人：LILLY INDUSTRIES LIMITED

  公开号：EP0469833A1

  公开（公告）日：1992-02-05

  A compound of the formula in which R¹ is hydrogen, halo, C₁₋₄ alkyl, C₁₋₄ alkoxy, nitrile, optionally protected carboxy, optionally protected tetrazolyl, trihalomethyl, hydroxy-C₁₋₄ alkyl, aldehydo,- CH₂Z, -CH=CH-Z or -CH₂CH₂Z where Z is optionally protected carboxy or optionally protected tetrazolyl; R² is halo, nitrile, an optionally protected acid group or -CONR⁷R⁸ where R⁷ and R⁸ are each hydrogen or C₁₋₄ alkyl, R³ and R⁴ are each hydrogen, C₁₋₄ alkyl, optionally substituted phenyl, or C₁₋₄ alkyl substituted by -CONR⁷R⁸ or an optionally protected acid group; R⁵ is where W is -CH=CH-, -CH=N-, -N=CH-, -O- or -S-, R⁹ is hydrogen, halo, C₁₋₄ alkyl, C₁₋₄ alkoxy or trihalomethyl, and R¹⁰ is hydrogen, C₁₋₄ alkyl, C₂₋₆ alkenyl, C₃₋₆ cycloalkyl or C₁₋₄ alkyl-C₃₋₆ cycloalkyl; R⁶ is hydrogen or C₁₋₄ alkyl; X is -O-(CH₂)nCR¹¹CR¹²-, -CR¹¹R¹²-, -CR¹¹R¹².(CH₂)n.CR¹³R¹⁴- or -CR¹¹=CR¹²- where R¹¹, R¹², R¹³ and R¹⁴ are each hydrogen or C₁₋₄ alkyl, and n is 0, 1 or 2; and Y is -O-CR¹⁵R¹⁶-, -CR¹⁵=CR¹⁶- or -CR¹⁵ R¹⁶.CR¹⁷R¹⁸- where R¹⁵, R¹⁶, R¹⁷ and R¹⁸ are each hydrogen or C₁₋₄ alkyl; or a salt thereof. The compounds in unprotected form are active as leukotriene antagonists.

  式中的化合物 其中 R¹ 是氢、卤素、C₁₋₄烷基、C₁₋₄烷氧基、腈、任选受保护的羧基、任选受保护的四唑基、三卤甲基、羟基-C₁₋₄烷基、醛基、-CH₂Z、-CH=CH-Z 或 -CH₂CH₂Z，其中 Z 是受保护的羧基或受保护的四唑基；R² 是卤素、腈、任选受保护的酸基或 -CONR⁷R⁸ 其中 R⁷ 和 R⁸ 各为氢或 C₁₋₄ 烷基，R³ 和 R⁴ 各为氢、C₁₋₄烷基、任选取代的苯基或被 -CONR⁷R⁸ 或任选保护的酸基取代的 C₁₋₄ 烷基；R⁵ 是 其中 W 是 -CH=CH-、-CH=N-、-N=CH-、-O- 或 -S-, R𠞙 是氢、卤素、C₁₋₄烷基、C₁₋₄烷氧基或三卤甲基、R¹⁰ 是氢、C₁₋₄ 烷基、C₂₋₆ 烯基、C₃₋₆ 环烷基或 C₁₋₄ 烷基-C₃₋₆ 环烷基；R⁶ 是氢或 C₁₋₄ 烷基；X 是 -O-(CH₂)nCR¹CR¹²-、-CR¹R¹²-、-CR¹R¹².(CH₂)n.CR¹³R¹⁴-或-CR¹=CR¹²-，其中R¹¹、R¹²、R¹³和R¹⁴各自是氢或C₁₋₄烷基，n是0、1或2；Y是-O-CR¹⁵R¹⁶-、-CR¹⁵=CR¹⁶-或-CR¹⁵R¹⁶.CR¹⁷R¹⁸- 其中 R¹⁵、R¹⁶、R¹⁷ 和 R¹⁸ 各为氢或 C₁₋₄ 烷基；或其盐。未保护形式的化合物具有白三烯拮抗剂的活性。
• TREATMENTS FOR NEUROPATHY
  申请人：Children's Medical Center Corporation

  公开号：EP2240177A2

  公开（公告）日：2010-10-20
• JPH06220045A
  申请人：——

  公开号：JPH06220045A

  公开（公告）日：1994-08-09
• Treatments for Neuropathy
  申请人：Corfas Gabriel

  公开号：US20110086878A1

  公开（公告）日：2011-04-14

  Small fiber neuropathy is treated or prevented by topically administering to a subject in need thereof topically active quinoline compounds or pharmaceutically acceptable salts thereof under conditions effective to treat or prevent neuropathy in the subject. Glial cell-derived neurotrophic factor (GDNF) receptors are modulated with the subject active quinoline compounds, which may be formulated in topical lotions.
• COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY
  申请人：CHILDEREN'S MEDICAL CENTER CORPORATION

  公开号：US20160045487A1

  公开（公告）日：2016-02-18

  The invention features XIB4035 for the treatment of large fiber neuropathy, and combinations of XIB4035 and GDNF for the treatment of both large and small fiber neuropathies.