2-(1-((((R)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl) acetic acid hydrochloride | 1178966-47-6

• 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: 2-(1-((((R)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl) acetic acid hydrochloride
• 英文别名: montelukast hydrochloride；2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid;hydrochloride
• CAS: 1178966-47-6
• 化学式: C₃₅H₃₆ClNO₃S*ClH
• 分子量: 622.656
• InChiKey: ZJPLSMBLOGNQQJ-HKHDRNBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.37
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  95.7
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(1-((((R)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl) acetic acid hydrochloride 在 乙酸乙酯 、 酒石酸 、 potassium hydroxide 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 15.25h， 生成 孟鲁司特
  参考文献：
  名称：

  [EN] PROCESS FOR THE PURIFICATION OF MONTELUKAST BY THE PREPARATION OF ACID ADDITION SALTS AND PROCÉDÉ DE PURIFICATION DU MONTÉLUKAST PAR PRÉPARATION DE SELS D'ADDITION ACIDES ET DE SEL DE 20090813WO2005040123A1SYNHTON B V [NL], et al200505062410DX1-3,5,6,27,29DXWO2007012075A2REDDYS LAB LTD DR [IN], et al2007012546,7A1AEP1693368A1CHEMI SPA [IT]2006082311DA7DA
  [FR] PROCÉDÉ DE PURIFICATION DU MONTÉLUKAST PAR PRÉPARATION DE SELS D'ADDITION ACIDES ET DE SEL DE 20090813WO2005040123A1SYNHTON B V [NL], et al200505062410DX1-3,5,6,27,29DXWO2007012075A2REDDYS LAB LTD DR [IN], et al2007012546,7A1AEP1693368A1CHEMI SPA [IT]2006082311DA7DA

  摘要：

  本发明涉及通过制备酸加成盐和tert-戊基胺盐的纯化蒙特卢卡斯特的过程。酸加成盐的制备非常高效，不会导致三级醇脱水产生的苯乙烯杂质等杂质的增加，而使用tert-戊基胺盐则高度降低苯乙烯杂质和蒙特卢卡斯特亚砜的含量。

  公开号：

  WO2009098271A1
• 作为产物：
  描述：

  孟鲁司特 在 盐酸 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 0.5h， 以43%的产率得到2-(1-((((R)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl) acetic acid hydrochloride
  参考文献：
  名称：

  [EN] PROCESS FOR THE PURIFICATION OF MONTELUKAST BY THE PREPARATION OF ACID ADDITION SALTS AND PROCÉDÉ DE PURIFICATION DU MONTÉLUKAST PAR PRÉPARATION DE SELS D'ADDITION ACIDES ET DE SEL DE 20090813WO2005040123A1SYNHTON B V [NL], et al200505062410DX1-3,5,6,27,29DXWO2007012075A2REDDYS LAB LTD DR [IN], et al2007012546,7A1AEP1693368A1CHEMI SPA [IT]2006082311DA7DA
  [FR] PROCÉDÉ DE PURIFICATION DU MONTÉLUKAST PAR PRÉPARATION DE SELS D'ADDITION ACIDES ET DE SEL DE 20090813WO2005040123A1SYNHTON B V [NL], et al200505062410DX1-3,5,6,27,29DXWO2007012075A2REDDYS LAB LTD DR [IN], et al2007012546,7A1AEP1693368A1CHEMI SPA [IT]2006082311DA7DA

  摘要：

  本发明涉及通过制备酸加成盐和tert-戊基胺盐的纯化蒙特卢卡斯特的过程。酸加成盐的制备非常高效，不会导致三级醇脱水产生的苯乙烯杂质等杂质的增加，而使用tert-戊基胺盐则高度降低苯乙烯杂质和蒙特卢卡斯特亚砜的含量。

  公开号：

  WO2009098271A1

文献信息

• [EN] SOLID-STATE MONTELUKAST<br/>[FR] MONTELUKAST A L'ETAT SOLIDE
  申请人：SYNHTON B V

  公开号：WO2005040123A1

  公开（公告）日：2005-05-06

  A solid form of a compound of formula 1: is provided. The compound of formula I can be obtained in solid state by precipitation from a solution containing the same. The compound is useful as leukotriene, antagonist and can be formulated into a pharmaceutical composition that also includes a pharmaceutically acceptable excipient.

  提供了一种化合物1的固态形式。化合物1可以通过从含有该化合物的溶液中沉淀得到固态。该化合物可用作白三烯拮抗剂，并可制成含有药用辅料的制药组合物。
• HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS
  申请人：Techfields Pharma Co., Ltd.

  公开号：EP2849738A1

  公开（公告）日：2015-03-25
• HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOISITON THEREOF FOR TREATMENT OF PULMONARY CONDITIONS
  申请人：Techfields Pharma Co., Ltd.

  公开号：US20190142818A1

  公开（公告）日：2019-05-16

  The invention provides compositions of novel high penetration compositions (HPC) or high penetration prodrugs (HPP) for treatment of pulmonary conditions (e.g. asthma). The HPCs/HPPs are capable of being converted to parent active drugs or drug metabolites after crossing the biological barrier and thus can render treatments for the conditions that the parent drugs or metabolites can. Additionally, the HPPs are capable of reaching areas that parent drugs may not be able to access or to render a sufficient concentration at the target areas and therefore render novel treatments. The HPCs/HPPs can be administered to a subject through various administration routes, e.g., locally delivered to an action site of a condition with a high concentration or systematically administered to a biological subject and enter the general circulation with a faster rate.
• [EN] HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS<br/>[FR] COMPOSITIONS DE PROMÉDICAMENT À FORTE PÉNÉTRATION ET COMPOSITION PHARMACEUTIQUE ASSOCIÉE POUR LE TRAITEMENT D'AFFECTIONS PULMONAIRES
  申请人：TECHFIELDS PHARMA CO LTD

  公开号：WO2013170655A1

  公开（公告）日：2013-11-21

  The invention provides compositions of novel high penetration compositions (HPC) or high penetration prodrugs (HPP) for treatment of pulmonary conditions (e.g. asthma). The HPCs/HPPs are capable of being converted to parent active drugs or drug metabolites after crossing the biological barrier and thus can render treatments for the conditions that the parent drugs or metabolites can. Additionally, the HPPs are capable of reaching areas that parent drugs may not be able to access or to render a sufficient concentration at the target areas and therefore render novel treatments. The HPCs/HPPs can be administered to a subject through various administration routes, e.g., locally delivered to an action site of a condition with a high concentration or systematically administered to a biological subject and enter the general circulation with a faster rate.