[1-({[3-(2-acetylphenyl)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}propyl]sulfanyl}methyl)cyclopropyl]acetic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: [1-({[3-(2-acetylphenyl)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}propyl]sulfanyl}methyl)cyclopropyl]acetic acid
• 英文别名: 2-[1-[[3-(2-acetylphenyl)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
• 化学式: C₃₄H₃₂ClNO₃S
• 分子量: 570.1
• InChiKey: DYLOVNSFPNMSRY-NTEUORMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  92.6
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Topical montelukast for treatment of atopic dermatitis
  申请人：TARO PHARMACEUTICAL INDUSTRIES LTD.

  公开号：US10548837B1

  公开（公告）日：2020-02-04

  A topical formulation comprising Montelukast or a pharmaceutically acceptable salt thereof, a gelling agent and water for the treatment of atopic dermatitis.

  一种用于治疗特应性皮炎的局部制剂，包含孟鲁司特或其药学上可接受的盐、胶凝剂和水。
• PROGRESSIVE EMULSION CRYSTALLIZATION
  申请人：KRKA, D.D., Novo Mesto

  公开号：EP2413911B1

  公开（公告）日：2014-02-19
• PROCESS FOR PURE MONTELUKAST SODIUM THROUGH PURE INTERMEDIATES AS WELL AS NOVEL AMINE SALTS
  申请人：Satyanarayana Reddy Manne

  公开号：US20100056793A1

  公开（公告）日：2010-03-04

  The present invention provides an improved process for the preparation of highly pure montelukast sodium through highly pure diol intermediate compound of formula (2) and (1)-(mercapto methyl)cyclopropane acetic acid methyl ester compound of formula (4) or mercaptomethyl cyclopropane acetic acid compound of formula (7). The present invention also provides novel organic amine salts of montelukast.
• TOPICAL MONTELUKAST FOR TREATMENT OF ATOPIC DERMATITIS
  申请人：TARO PHARMACEUTICAL INDUSTRIES LTD.

  公开号：US20200237651A1

  公开（公告）日：2020-07-30

  A topical formulation comprising Montelukast or a pharmaceutically acceptable salt thereof, a gelling agent and water for the treatment of atopic dermatitis.
• US8115004B2
  申请人：——

  公开号：US8115004B2

  公开（公告）日：2012-02-14