Ethyl 4-[7-[5-[4-hepta-1,3,5-trien-4-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]butanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: Ethyl 4-[7-[5-[4-hepta-1,3,5-trien-4-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]butanoate
• 英文别名: ethyl 4-[7-[5-[4-hepta-1,3,5-trien-4-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]butanoate
• 化学式: C₃₂H₃₄F₃N₃O₃
• 分子量: 565.6
• InChiKey: BFVKBANVFZFRHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  41
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  68.5
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• [EN] OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP)<br/>[FR] DÉRIVÉS D'OXADIAZOLE ACTIFS SUR LA SPHINGOSINE-1-PHOSPHATE (S1P)
  申请人：GLAXO GROUP LTD

  公开号：WO2009080725A1

  公开（公告）日：2009-07-02

  The present application discloses oxadiazole based compounds of Formula (I) active on sphingosine-1-phosphate (S1P) in particular useful to treat lupus erythematosus. A is phenyl or a 5 or 6-membered heteroaryl ring; R1 is up to two substituents independently selected from halogen, C(1-3)aIkoxy, C(1-3)flyoroalkyl, cyano, optionally substituted phenyl. C(1-3)fluoroalkoxy. C(1-6)alkyl and C(3-6)Cyctoalkyl; R2 is hydrogen, halogen or C(1-4)alkyl; B is a 7 membered saturated ring selected from the following: Formulae (a) (b) (c) R3 is hydrogen or (CH2)1-4MCO2H; R4 is hydrogen or C(1-3)alkyl optionally interrupted by oxygen;

  本申请披露了一种基于噁二唑的化合物，其化学式为（I），对神经酰胺-1-磷脂酸（S1P）具有活性，特别适用于治疗红斑狼疮。其中，A为苯基或5或6元杂环芳基环；R1为最多两个取代基，可独立选择自卤素、C（1-3）烷氧基、C（1-3）氟烷基、氰基、可选择取代的苯基、C（1-3）氟烷氧基、C（1-6）烷基和C（3-6）环烷基；R2为氢、卤素或C（1-4）烷基；B为以下选项中的7元饱和环之一：（a）（b）（c）；R3为氢或（CH2）1-4MCO2H；R4为氢或C（1-3）烷基，可由氧原子中断。
• COMPOUNDS
  申请人：HEER Jag Paul

  公开号：US20100174065A1

  公开（公告）日：2010-07-08

  The present invention relates to novel oxadiazole derivatives having pharmacological activity, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders.

  本发明涉及具有药理活性的新型噁二唑衍生物，其制备方法，含有它们的药物组合物以及它们在治疗各种疾病中的用途。
• OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP)
  申请人：Demont Emmanuel Hubert

  公开号：US20100273771A1

  公开（公告）日：2010-10-28

  The present invention relates to novel oxadiazole derivatives having pharmacological activity, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders.

  本发明涉及具有药理活性的新型噁唑烷衍生物、其制备方法、含有它们的制药组合物以及它们在治疗各种疾病中的用途。
• US8222245B2
  申请人：——

  公开号：US8222245B2

  公开（公告）日：2012-07-17