5-chloro-N-[(1R)-1-{4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-4H-1,2,4-triazol-3-yl}ethyl]naphthalene-2-sulfonamide | 945726-43-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-chloro-N-[(1R)-1-{4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-4H-1,2,4-triazol-3-yl}ethyl]naphthalene-2-sulfonamide
• 英文别名: 5-chloro-N-[(1R)-1-[4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-1,2,4-triazol-3-yl]ethyl]naphthalene-2-sulfonamide
• CAS: 945726-43-2
• 化学式: C₂₇H₃₁ClN₆O₃S
• 分子量: 555.101
• InChiKey: XGYISZMQKYPBBH-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• TRIAZOLE DERIVATIVE
  申请人：Ono Naoya

  公开号：US20100041655A1

  公开（公告）日：2010-02-18

  An object of the present invention is to provide a compound having an action of inhibiting binding between S1P and its receptor, Edg-1 (S1P 1 ), and is useful as a pharmaceutical compound. A compound or a pharmaceutically acceptable salt thereof, which compound is represented by the formula below (where A represents an oxygen atom, a sulfur atom, a group represented by Formula —SO—, a group represented by Formula —SO 2 — or the like, R 1 represents a hydrogen atom, an alkyl group having 1-6 carbon atoms, or the like, R 1A represents a hydrogen atom or the like, R 2 represents an alkyl group having 1-6 carbon atoms, a cycloalkyl group having 3-6 carbon atoms, or the like, represents an aryl group, R 4 represents a hydrogen atom or an alkyl group having 1-6 carbon atoms and optionally substituted with a carboxyl group, and R 5 represents an alkyl group having 1-carbon atoms, a cycloalkyl group having 3-8 carbon atoms, an aryl group which is optionally substituted, or the like).

  本发明的目的是提供一种化合物，具有抑制S1P与其受体Edg-1（S1P1）结合的作用，并且可用作制药化合物。该化合物或其药学上可接受的盐，所述化合物由以下公式表示（其中A表示氧原子、硫原子、由公式—SO—表示的基团、由公式—SO2—表示的基团或类似基团，R1表示氢原子、具有1-6个碳原子的烷基或类似基团，R1A表示氢原子或类似基团，R2表示具有1-6个碳原子的烷基、具有3-6个碳原子的环烷基或类似基团，表示芳基基团，R4表示氢原子或具有1-6个碳原子且可选择性地取代羧基的烷基基团，而R5表示具有1个碳原子的烷基基团、具有3-8个碳原子的环烷基、可选择性地取代的芳基基团或类似基团）。
• MEDICINAL COMPOSITION FOR INHIBITING FORMATION AND/OR ENLARGEMENT OF CEREBRAL ANEURYSM OR SHRINKING SAME
  申请人：Kyoto University

  公开号：EP2990055A1

  公开（公告）日：2016-03-02

  Provided is a pharmaceutical composition which enables the inhibition of formation and/or enlargement of cerebral aneurysm or the regression of cerebral aneurysm. The pharmaceutical composition for the inhibition of formation and/or enlargement of cerebral aneurysm or for the regression of cerebral aneurysm of the present invention, which includes a S1P1 receptor agonist as an active ingredient, enables the inhibition of formation and/or enlargement of cerebral aneurysm or the regression of cerebral aneurysm, and enables the prevention and/or treatment of a disease associated with cerebral aneurysm.

  本发明提供了一种能够抑制脑动脉瘤形成和/或扩大或使脑动脉瘤消退的药物组合物。本发明的抑制脑动脉瘤形成和/或增大或使脑动脉瘤消退的药物组合物，其活性成分包括 S1P1 受体激动剂，可抑制脑动脉瘤形成和/或增大或使脑动脉瘤消退，并可预防和/或治疗与脑动脉瘤相关的疾病。
• COMPOSITION COMPRISING A SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 AGONIST FOR INHIBITING FORMATION AND/OR ENLARGEMENT OF CEREBRAL ANEURYSM OR FOR SHRINKING IT
  申请人：Kyoto University

  公开号：EP2990055B1

  公开（公告）日：2019-06-05
• US8022091B2
  申请人：——

  公开号：US8022091B2

  公开（公告）日：2011-09-20
• US9629834B2
  申请人：——

  公开号：US9629834B2

  公开（公告）日：2017-04-25