6-(4-{4-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-hex-5-ynoic acid | 1229193-51-4

• 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: 6-(4-{4-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-hex-5-ynoic acid
• 英文别名: 6-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]hex-5-ynoic acid
• CAS: 1229193-51-4
• 化学式: C₂₅H₂₃ClN₂O₅
• 分子量: 466.921
• InChiKey: GWYPUEANAQQSDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-己炔酸 、 1-(2-氯苯基)乙基(5-(4-溴苯基)-3-甲基异恶唑-4-基)氨基甲酸酯 在 copper(l) iodide 、 四(三苯基膦)钯 三乙胺 作用下， 以 乙二醇二甲醚 为溶剂， 反应 2.0h， 生成 6-(4-{4-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-hex-5-ynoic acid
  参考文献：
  名称：

  [EN] ALKYNE ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS
  [FR] ANTAGONISTES D'ALCYNE DE RÉCEPTEURS D'ACIDE LYSOPHOSPHATIDIQUE

  摘要：

  公开号：

  WO2010068775A3

文献信息

• ALKYNE ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS
  申请人：Hutchinson John Howard

  公开号：US20110301134A1

  公开（公告）日：2011-12-08

  Described herein are compounds that are antagonists of lysophosphatidic receptor(s). Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists, alone and in combination with other compounds, for treating LPA-dependent or LPA-mediated conditions or diseases.

  本文介绍的是拮抗溶血磷脂酸受体的化合物。还描述了包括上述化合物的药物组合物和药物，以及使用这种拮抗剂的方法，单独或与其他化合物联合治疗依赖于溶血磷脂酸或由其介导的疾病或病症。
• Alkyne antagonists of lysophosphatidic acid receptors
  申请人：Hutchinson John Howard

  公开号：US08455499B2

  公开（公告）日：2013-06-04

  Described herein are compounds that are antagonists of lysophosphatidic receptor(s). Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists, alone and in combination with other compounds, for treating LPA-dependent or LPA-mediated conditions or diseases.

  本文介绍的是抗溶血磷脂酸受体的化合物。还描述了包含所述化合物的药物组成物和药物，以及使用这些拮抗剂的方法，单独或与其他化合物结合，用于治疗依赖于或介导于溶血磷脂酸的疾病或病症。
• LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE
  申请人：Hutchinson John Howard

  公开号：US20130253019A1

  公开（公告）日：2013-09-26

  Described herein is the use of LPA1 antagonists in the treatment or prevention of diseases or conditions of the eye of a mammal. Also described are pharmaceutical compositions that include at least one LPA1 antagonist.
• US8455499B2
  申请人：——

  公开号：US8455499B2

  公开（公告）日：2013-06-04
• [EN] INHALABLE FORMULATIONS OF LYSOPHOSPHATDIC ACID RECEPTOR ANTAGONISTS<br/>[FR] FORMULATIONS INHALABLES D'ANTAGONISTES DE RÉCEPTEUR D'ACIDE LYSOPHOSPHATIDIQUE
  申请人：AMIRA PHARMACEUTICALS INC

  公开号：WO2011159633A1

  公开（公告）日：2011-12-22

  Described herein are inhalable pharmaceutical compositions comprising LPA receptor anatgonists wherein the pharmaceutical compositions facilitate delivery of LPA receptor antagonists to the lungs of a mammal. Also provided are methods of treating or preventing LPA-dependent or LPA-mediated diseases or conditions in a mammal by pulmonary administration of LPA receptor antagonists.