methyl (1r,4r)-4-((5-(trifluoromethyl)pyridin-2-yl)amino)cyclohexane-1-carboxylate | 956352-23-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (1r,4r)-4-((5-(trifluoromethyl)pyridin-2-yl)amino)cyclohexane-1-carboxylate
• CAS: 956352-23-1
• 化学式: C₁₄H₁₇F₃N₂O₂
• 分子量: 302.296
• InChiKey: SEBBHKOTHFRFEJ-HOMQSWHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.24
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  51.22
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  methyl (1r,4r)-4-((5-(trifluoromethyl)pyridin-2-yl)amino)cyclohexane-1-carboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 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：

  methyl 4-aminocyclohexane-1-carboxylate 、 2-氯-5-三氟甲基吡啶 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 反应 1.0h， 以20%的产率得到methyl (1r,4r)-4-((5-(trifluoromethyl)pyridin-2-yl)amino)cyclohexane-1-carboxylate
  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

• 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.
• PROCESS FOR THE PREPARATION OF CYCLOHEXANE DERIVATIVES
  申请人：Kunitani Ryosuke

  公开号：US20120277441A1

  公开（公告）日：2012-11-01

  A process for preparing a compound of formula (I) or a salt or solvate thereof, by reacting a compound of formula (IV): with a compound of formula (V): to obtain the compound of formula (I): wherein each R 1 is independently a halogen, C1-C6 alkyl, C1-C6 alkoxy, C1-C6 haloalkyl, C1-C6 haloalkoxy or C1-C6 alkylcarbonyl; R 2 is C1-C6 alkyl, C1-C6 haloalkyl, or phenyl optionally substituted with at least one selected from the group consisting of a halogen, C1-C6 alkyl, C1-C6 alkoxy, C1-C6 haloalkyl, C1-C6 haloalkoxy, and nitro; R 3 is C1-C6 alkyl, C3-C8 cycloalkyl, or a phenyl optionally substituted at least one selected from the group consisting of a halogen, C1-C6 alkyl, C1-C6 alkoxy, C1-C6 haloalkyl, and C1-C6 haloalkoxy; n is 0, 1, or 2; and X is S atom or O atom.