(2'-{[(2-Chloro-benzyloxycarbonyl)-ethyl-amino]-methyl}-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid | 1175526-50-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2'-{[(2-Chloro-benzyloxycarbonyl)-ethyl-amino]-methyl}-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid
• 英文别名: 2-[3-[2-[[(2-chlorophenyl)methoxycarbonyl-ethylamino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
• CAS: 1175526-50-7
• 化学式: C₂₇H₂₅ClF₃NO₅
• 分子量: 535.947
• InChiKey: VHGHPLQTOQCXDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  邻氯苄醇 在 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 (2'-{[(2-Chloro-benzyloxycarbonyl)-ethyl-amino]-methyl}-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid
  参考文献：
  名称：

  Discovery and optimization of a biphenylacetic acid series of prostaglandin D2 receptor DP2 antagonists with efficacy in a murine model of allergic rhinitis

  摘要：

  Biphenylacetic acid (5) was identified through a library screen as an inhibitor of the prostaglandin D-2 receptor DP2 (CRTH2). Optimization for potency and pharmacokinetic properties led to a series of selective CRTH2 antagonists. Compounds demonstrated potency in a human DP2 binding assay and a human whole blood eosinophil shape change assay, as well as good oral bioavailability in rat and dog, and efficacy in a mouse model of allergic rhinitis following oral dosing. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.01.024

文献信息

• N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS
  申请人：HUTCHINSON John Howard

  公开号：US20090197959A1

  公开（公告）日：2009-08-06

  Described herein are compounds that are antagonists of PGD 2 receptors. Also described are pharmaceutical compositions that include the compounds described herein, and methods of using such antagonists of PGD 2 receptors, alone or in combination with other compounds, for treating respiratory, cardiovascular, and other PGD 2 -dependent or PGD 2 -mediated conditions or diseases.

  本发明描述了PGD2受体的拮抗剂化合物。同时，还描述了包含本发明所述化合物的药物组合物，以及使用这些PGD2受体拮抗剂的方法，单独使用或与其他化合物联合使用，用于治疗呼吸系统、心血管系统以及其它依赖或由PGD2介导的条件或疾病。
• N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors
  申请人：Panmira Pharmaceuticals, LLC

  公开号：US08067445B2

  公开（公告）日：2011-11-29

  Described herein are compounds that are antagonists of PGD2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein that are antagonists of PGD2 receptors. Also described herein are methods of using such antagonists of PGD2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD2-dependent or PGD2-mediated conditions or diseases.

  本文描述了一些PGD2受体拮抗剂化合物。还描述了包含这些PGD2受体拮抗剂化合物的药物组合物和药物。本文还描述了使用这些PGD2受体拮抗剂，单独或与其他化合物结合，治疗呼吸系统、心血管系统和其他依赖或介导于PGD2的疾病或病症的方法。
• US8067445B2
  申请人：——

  公开号：US8067445B2

  公开（公告）日：2011-11-29
• US8168678B2
  申请人：——

  公开号：US8168678B2

  公开（公告）日：2012-05-01
• US8338484B2
  申请人：——

  公开号：US8338484B2

  公开（公告）日：2012-12-25