1-(((1(R)-(3-(2-(2, 3-dichlorothieno[3,2-b]pyridin-5-yl)-(E)-ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid | 171031-57-5

• 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-(((1(R)-(3-(2-(2, 3-dichlorothieno[3,2-b]pyridin-5-yl)-(E)-ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid
• 英文别名: (1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyridin-5-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid；2-[1-[[(1R)-1-[3-[(E)-2-(2,3-dichlorothieno[3,2-b]pyridin-5-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
• CAS: 171031-57-5
• 化学式: C₃₃H₃₃Cl₂NO₃S₂
• 分子量: 626.668
• InChiKey: SOUXTOZGVBFBFE-LEYIMRRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] METHOD OF TREATMENT AND PHARMACEUTICAL COMPOSION<br/>[FR] PROCEDE DE TRAITEMENT ET COMPOSITION PHARMACEUTIQUE
  申请人：MERCK & CO., INC.

  公开号：WO1997028797A1

  公开（公告）日：1997-08-14

  (EN) A method of treating asthma, allergy and inflammation comprises treatment with a leukotriene inhibitor and loratadine either concurrently in separate doses or combined in a single pharmaceutical formulation.(FR) Ce procédé de traitement de l'asthme, de l'allergie et de l'inflammation consiste à traiter ces manifestations à l'aide d'un inhibiteur des leucotriènes, ainsi que de loratadine, par administration simultanée de ceux-ci, soit sous des doses séparées, soit sous des doses combinées en une seule formulation pharmaceutique.

  一种治疗哮喘、过敏和炎症的方法包括使用白三烯抑制剂和洛拉他定，可以同时分别用药或结合在单个制剂中使用。
• 2-Benzimidazolylamine compounds as ORL1-receptor agonists
  申请人：PFIZER INC.

  公开号：EP1069124A1

  公开（公告）日：2001-01-17

  A compound of the formula: or a pharmaceutically acceptable salt thereof, wherein R1 and R2 are independently selected from hydrogen, halo, hydroxy, (C1-C4)alkyl, halo (C1-C4)alkyl and the like; R3 and R4 are independently selected from hydrogen, halo(C1-C10)alkyl, optionally substituted (C1-C6)alkyl and the like, or R3 and R4, together with the nitrogen atom to which they are attached, form an optionally substituted fully saturated, partially saturated or fully unsaturated heterocyclic ring; and R5 is (C4-C11)cycloalkyl and the like, has ORL1-receptor agonist activity, and are useful as analgesics or the like in mammalian subjects.

  式化合物 或其药学上可接受的盐，其中 R1和R2独立选自氢、卤代、羟基、(C1-C4)烷基、卤代(C1-C4)烷基等；R3和R4独立选自氢、卤代(C1-C10)烷基、任选取代的(C1-C6)烷基等，或R3和R4与其连接的氮原子一起形成任选取代的完全饱和、部分饱和或完全不饱和杂环；和 R5 是（C4-C11）环烷基等，具有 ORL1 受体激动剂活性，可用作哺乳动物的镇痛剂或类似药物。
• Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors
  申请人：Sepracor Inc.

  公开号：EP1707216A1

  公开（公告）日：2006-10-04

  Methods and pharmaceutical compositions employing a terfenadine metabolite and a leukotriene inhibitor for the treatment or prevention of inflammation or allergic disorders, such as asthma, or symptoms thereof. Also included are methods and compositions employing a terfenadine metabolite, a leukotriene inhibitor, and a decongestant for the treatment or prevention of inflammation or allergic disorders, such as asthma, or symptoms thereof.

  采用特非那定代谢物和白三烯抑制剂治疗或预防炎症或过敏性疾病（如哮喘）或其症状的方法和药物组合物。还包括采用特非那定代谢物、白三烯抑制剂和减充血剂治疗或预防炎症或过敏性疾病（如哮喘）或其症状的方法和组合物。
• Methods and compositions using cetirizine in combination with leukotriene Inhibitors for treating conditions responsive to leukotriene inhibitiion
  申请人：Sepracor Inc.

  公开号：EP1769797A2

  公开（公告）日：2007-04-04

  Methods and pharmaceutical compositions employing (+) cetirizine, (-) cetirizine, or racemic cetirizine, or a pharmaceutically acceptable salt thereof, and a leukotriene inhibitor, or a pharmaceutically acceptable salt thereof, or decongestant for the treatment, management, and/or prevention of inflammation, asthma or symptoms thereof, allergic disorders such as allergic rhinitis, and dermatitis.

  采用（+）西替利嗪、（-）西替利嗪或外消旋西替利嗪或其药学上可接受的盐、白三烯抑制剂或其药学上可接受的盐或减充血剂治疗、控制和/或预防炎症、哮喘或其症状、过敏性疾病（如过敏性鼻炎和皮炎）的方法和药物组合物。
• Methods and compositions using norastemizole in combination with leukotriene inhibitors
  申请人：Sepracor, Inc.

  公开号：US20020086854A1

  公开（公告）日：2002-07-04

  Methods and pharmaceutical compositions employing norastemizole and a leukotriene inhibitor for the treatment or prevention of inflammation or allergic disorders, such as asthma or the symptoms thereof. Also included are methods and compositions employing norastemizole and a decongestant for the treatment or prevention of inflammation or allergic disorders, such as asthma or the symptoms thereof.

  采用诺那替咪唑和白三烯抑制剂治疗或预防炎症或过敏性疾病（如哮喘或其症状）的方法和药物组合物。此外，还包括采用诺那替咪唑和减充血剂治疗或预防炎症或过敏性疾病（如哮喘或其症状）的方法和药物组合物。