| 956352-27-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 956352-27-5
• 化学式: C₁₃H₁₆F₃N₅
• 分子量: 299.299
• InChiKey: MCJMWJZJSRCODQ-HOMQSWHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.38
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  73.68
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF

  摘要：

  本发明提供了一种厌食剂或抗肥胖组合物，包括公式(I)的化合物： 公式(I)： 其药用可接受的盐或溶剂化物， 其中 R1是可选地取代的低级烷基， Y是—S(O)n—，其中n是1或2，或者—CO—， R2是氢或低级烷基， R7是氢或低级烷基， X是低级亚烷基，低级亚烯基，芳基，环烷基或类似物， Z是低级烷基，可选地取代的碳环烷基，可选地取代的杂环烷基或类似物。

  公开号：

  US20100273841A1
• 作为产物：
  描述：

  在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF

  摘要：

  本发明提供了一种厌食剂或抗肥胖组合物，包括公式(I)的化合物： 公式(I)： 其药用可接受的盐或溶剂化物， 其中 R1是可选地取代的低级烷基， Y是—S(O)n—，其中n是1或2，或者—CO—， R2是氢或低级烷基， R7是氢或低级烷基， X是低级亚烷基，低级亚烯基，芳基，环烷基或类似物， Z是低级烷基，可选地取代的碳环烷基，可选地取代的杂环烷基或类似物。

  公开号：

  US20100273841A1

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。
• EP2017261
  申请人：——

  公开号：——

  公开（公告）日：——
• Amine Derivative Having NPY Y5 Receptor Antagonistic Activity
  申请人：Okuno Takayuki

  公开号：US20100063027A1

  公开（公告）日：2010-03-11

  This invention provides a compound of the formula (I): a pharmaceutically acceptable salt or solvate thereof, wherein R 1 is optionally substituted lower alkyl, Y is —S(O) n — wherein n is 1 or 2, or —CO—, R 2 is hydrogen or lower alkyl, R 7 is hydrogen or lower alkyl, X is lower alkylene, lower alkenylene, arylene, cycloalkylene or the like, and Z is lower alkyl, optionally substituted carbocyclyl, optionally substituted heterocyclyl or the like.
• AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF
  申请人：OKUNO Takayuki

  公开号：US20100273842A1

  公开（公告）日：2010-10-28

  This invention provides an anorectic or anti-obesity composition comprising a compound of the formula (I): a pharmaceutically acceptable salt or solvate thereof, wherein R 1 is optionally substituted lower alkyl, Y is —S(O) n — wherein n is 1 or 2, or —CO—, R 2 is hydrogen or lower alkyl, R 7 is hydrogen or lower alkyl, X is lower alkylene, lower alkenylene, arylene, cycloalkylene or the like, and Z is lower alkyl, optionally substituted carbocyclyl, optionally substituted heterocyclyl or the like.
• AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY
  申请人：Okuno Takayuki

  公开号：US20100267945A1

  公开（公告）日：2010-10-21

  A compound of the formula (I): a pharmaceutically acceptable salt or solvate thereof, where R 1 is optionally substituted lower alkyl, Y is —S(O) 2 —, R 2 is hydrogen or optionally substituted lower alkyl, R 7 is hydrogen or optionally substituted lower alkyl, X is a group of the formula: where R 5 and R 6 are each independently hydrogen, a group of the formula: is optionally substituted cycloalkylene, p is 0, and q is 1 or 2, Z is optionally substituted carbocyclyl or optionally substituted heterocyclyl, and provided that a compound wherein Z is fused heterocyclyl consisting of three rings or optionally substituted pyrimidinyl is excluded.