| 1242558-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• CAS: 1242558-95-7
• 化学式: C₂₃H₂₅ClN₄O₄
• 分子量: 456.929
• InChiKey: SIPCAINJYIEWSF-GASCZTMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  106.23
• 氢给体数：
  2.0
• 氢受体数：
  6.0

文献信息

• CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM
  申请人：Yoshida Hiroshi

  公开号：US20120004227A1

  公开（公告）日：2012-01-05

  The present invention discloses novel cyclohexane derivatives having NPY Y5 receptor antagonistic activity. Specifically, the present invention discloses a compound represented by the formula (I), or a pharmaceutically acceptable salt or a solvate thereof: wherein A is substituted or unsubstituted aryl or heterocyclyl; a combination of X and Y is a combination selected from (X, Y)═(C(═O)N(R 1 ), C(═O)N(R 2 )), (C(═O)N(R 1 ), imidazole-1,3-diyl), (N(R 1 ), C(═O)N(R 2 )), (O, C(═O)N(R 2 )), (C(R 3 )(R 4 ), N(R 2 )) or (a single bond, C(═O)N(R 2 )); R 1 , R 2 and R 3 are independently hydrogen or substituted or unsubstituted alkyl; R 5 is substituted or unsubstituted aryl or heterocyclyl; R 6 is halogen, oxo, substituted or unsubstituted alkyl, substituted or unsubstituted alkoxy, substituted or unsubstituted aryloxy; m is 0 or 1; and n is an integer of 0 to 5; and B is aromatic carbocycle, monocyclic heterocycle or fused bicyclic heterocycle.

  本发明公开了具有NPY Y5受体拮抗活性的新型环己烷衍生物。具体地，本发明公开了由以下式（I）表示的化合物，或其药学上可接受的盐或溶剂：其中A是取代或未取代的芳基或杂环基；X和Y的组合是从（X，Y）=（C(═O)N(R1)，C(═O)N(R2))，(C(═O)N(R1)，咪唑-1,3-二基)，(N(R1)，C(═O)N(R2))，(O，C(═O)N(R2))，(C(R3)(R4)，N(R2))或（单键，C(═O)N(R2))中选择的组合；R1，R2和R3独立地是氢或取代或未取代的烷基；R5是取代或未取代的芳基或杂环基；R6是卤素、氧代、取代或未取代的烷基、取代或未取代的烷氧基、取代或未取代的芳氧基；m为0或1；n为0到5的整数；B是芳香族碳环、单环杂环或融合双环杂环。
• US8653125B2
  申请人：——

  公开号：US8653125B2

  公开（公告）日：2014-02-18