1-(4'-{3-methyl-4-[6-(3-methyl-phenyl)-pyridin-2-ylamino]-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid | 1402207-75-3

• 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: 1-(4'-{3-methyl-4-[6-(3-methyl-phenyl)-pyridin-2-ylamino]-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid
• 英文别名: 1-[4-[4-[3-methyl-4-[[6-(3-methylphenyl)pyridin-2-yl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
• CAS: 1402207-75-3
• 化学式: C₃₂H₂₇N₃O₃
• 分子量: 501.585
• InChiKey: YJUDAXCMQCWNCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  88.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(4'-{3-methyl-4-[6-(3-methyl-phenyl)-pyridin-2-ylamino]-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid 、 1-(4'-{3-methyl-4-[6-(4-methylphenyl)pyridin-2-ylamino]isoxazol-5-yl}biphenyl-4-yl)cyclopropanecarboxylic acid 、 1-(4'-{3-methyl-4-[5-(2-methylphenyl)pyridin-3-ylamino]isoxazol-5-yl}biphenyl-4-yl)cyclopropanecarboxylic acid 、 1-(4'-{3-methyl-4-[5-(3-methyl-phenyl)-pyridin-3-ylamino]-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid 、 1-(4'-{3-methyl-4-[5-(4-methylphenyl)pyridin-3-ylamino]isoxazol-5-yl}biphenyl-4-yl)cyclopropanecarboxylic acid 、 N-(1-{4'-[3-Methyl-4-(6-(2-methyl-phenyl)-pyridin-2-ylamino)-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarbonyl)-methanesulfonamide 、 N-(1-{4'-[3-methyl-4-(6-(3-methylphenyl)pyridin-2-ylamino)isoxazol-5-yl]biphenyl-4-yl}cyclopropanecarbonyl)methanesulfonamide 、 N-(1-{4'-[3-Methyl-4-(6-(4-methyl-phenyl)-pyridin-2-ylamino)-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarbonyl)-methanesulfonamide 、 N-(1-{4'-[3-Methyl-4-(5-(2-methyl-phenyl)-pyridin-3-ylamino)-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarbonyl)-methanesulfonamide 、 N-(1-{4'-[3-methyl-4-(5-(3-methylphenyl)pyridin-3-ylamino)isoxazol-5-yl]biphenyl-4-yl}cyclopropanecarbonyl)methanesulfonamide 、 N-(1-{4'-[3-Methyl-4-(5-(4-methyl-phenyl)-pyridin-3-ylamino)-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarbonyl)-methanesulfonamide 生成 1-(4'-{3-Methyl-4-[6-(2-methyl-phenyl)-pyridin-2-ylamino]-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid
  参考文献：
  名称：

  LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS

  摘要：

  本文描述了一些是溶血磷脂酸受体拮抗剂的化合物。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，用于治疗依赖于溶血磷脂酸或通过溶血磷脂酸介导的疾病或病症。

  公开号：

  US20120258987A1

文献信息

• 3- OR 5 - BI PHENYL - 4 - YLISOXAZOLE - BASED COMPOUNDS USEFUL FOR THE TREATMENT OF FIBROSIS, PAIN, CANCER AND RESPIRATORY, ALLERGIC, NERVOUS SYSTEM OR CARDIOVASCULAR DISORDERS
  申请人：Amira Pharmaceuticals, Inc.

  公开号：EP2694496A1

  公开（公告）日：2014-02-12
• US8541587B2
  申请人：——

  公开号：US8541587B2

  公开（公告）日：2013-09-24
• [EN] 3- OR 5 - BI PHENYL - 4 - YLISOXAZOLE - BASED COMPOUNDS USEFUL FOR THE TREATMENT OF FIBROSIS, PAIN, CANCER AND RESPIRATORY, ALLERGIC, NERVOUS SYSTEM OR CARDIOVASCULAR DISORDERS<br/>[FR] COMPOSÉS À BASE DE 3- OU 5-BIPHÉNYL-4-YLISOXAZOLE UTILES POUR LE TRAITEMENT DE LA FIBROSE, DE LA DOULEUR, DU CANCER ET DE TROUBLES RESPIRATOIRES, ALLERGIQUES, DE TROUBLES DU SYSTÈME NERVEUX OU DE TROUBLES CARDIOVASCULAIRES
  申请人：AMIRA PHARMACEUTICALS INC

  公开号：WO2012138797A1

  公开（公告）日：2012-10-11

  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.