(3-bromo-5-{N-[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]formamide | 444343-03-7

• 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: (3-bromo-5-{N-[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]formamide
• 英文别名: 5-bromo-1-N,3-N-bis[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
• CAS: 444343-03-7
• 化学式: C₂₂H₁₃BrF₆N₂O₂
• 分子量: 531.252
• InChiKey: NKXOXWVCXJIUEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-dicyclohexylphophino-2'-(N,N-dimethylaminobiphenyl 、 (3-bromo-5-{N-[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]formamide 、 二氯甲烷 、 2-乙烯基萘 生成 (5-(2-(2-naphthyl)vinyl)-3-{N-[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]formamide
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Trisubstituted carbocyclic cyclophilin binding compounds and their use
  申请人：——

  公开号：US20020165275A1

  公开（公告）日：2002-11-07

  The present invention relates to novel, non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilin proteins, and to pharmaceutical compositions comprising one or more of the said compounds. The invention further relates to the uses of these compounds and compositions for binding CyP-type proteins, inhibiting their peptidyl-prolyl isomerase activity, and for research, development, and therapeutic applications in a variety of medical disorders.

  本发明涉及一种新型的非肽类小有机化合物，其具有与环肽亚精蛋白（CyP）型免疫蛋白亲和力，并且涉及包含所述化合物中的一个或多个的药物组合物。该发明还涉及这些化合物和组合物用于结合CyP型蛋白，抑制其肽基脯氨酸异构酶活性，并在各种医学疾病的研究、开发和治疗应用中的用途。
• TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE
  申请人：GUILFORD PHARMACEUTICALS INC.

  公开号：EP1360173A2

  公开（公告）日：2003-11-12
• US6656971B2
  申请人：——

  公开号：US6656971B2

  公开（公告）日：2003-12-02
• [EN] TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE<br/>[FR] COMPOSES DE LIAISON DE LA CYCLOPHILINE CARBOXYLIQUE TRISUBSTITUEE ET LEUR UTILISATION
  申请人：GUILFORD PHARM INC

  公开号：WO2002059080A2

  公开（公告）日：2002-08-01

  The present invention relates to novel, non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilin proteins, and to pharmaceutical compositions comprising one or more of the said compounds. The invention further relates to the uses of these compounds and compositions for binding CyP-type proteins, inhibiting their peptidyl-prolyl isomerase activity, and for research, development, and therapeutic applications in a variety of medical disorders.