ethyl 4-(4,4-difluorocyclohexyl)-2-oxobutanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 4-(4,4-difluorocyclohexyl)-2-oxobutanoate
• 英文别名: Ethyl 4-(4,4-difluorocyclohexyl)-2-oxobutanoate
• 化学式: C₁₂H₁₈F₂O₃
• 分子量: 248.27
• InChiKey: XOARMWDSPGOTRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-(4,4-difluorocyclohexyl)-2-oxobutanoate 在 tetra-N-butylammonium tribromide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 ethyl 7-cyano-3-[(4,4-difluorocyclohexyl)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylate
  参考文献：
  名称：

  CONDENSED RING HETEROCYCLIC COMPOUND

  摘要：

  公开号：

  EP2881394B1
• 作为产物：
  描述：

  4,4-二氟环己烷羧醛 在 palladium 10% on activated carbon 、 氢气 、 sodium ethanolate 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 3.67h， 生成 ethyl 4-(4,4-difluorocyclohexyl)-2-oxobutanoate
  参考文献：
  名称：

  CONDENSED RING HETEROCYCLIC COMPOUND

  摘要：

  公开号：

  EP2881394B1

文献信息

• Ring-fused heterocyclic derivative
  申请人：Sawada Takashi

  公开号：US09000186B2

  公开（公告）日：2015-04-07

  A ring-fused heterocyclic derivative represented by the following general formula (I) or a pharmaceutically acceptable salt thereof having a T-type calcium channel regulatory effect and useful as a pruritus therapeutic and/or preventive agent, and the like are provided. In the general formula (I), R1 represents optionally substituted lower alkyl, and the like; R2 represents an optionally substituted cycloalkyl, and the like; Q represents a hydrogen atom, and the like; R3 represents —C(═O)NR8R9 (wherein R8 and R9 may be the same or different, and each represents a hydrogen atom, and the like), and the like; L1 represents —CR11AR11B— (wherein R11A and R11B may be the same or different, and each represents a hydrogen atom, and the like), and the like; and W1 and W2 may be the same or different, and each represents C—R12 (wherein R12 represents a hydrogen atom, and the like), and the like.

  提供一种由以下一般式（I）表示的环融合杂环衍生物或其药学上可接受的盐，具有T型钙通道调节作用，可用作瘙痒治疗和/或预防剂等。在一般式（I）中，R1代表可选取代的较低烷基等；R2代表可选取代的环烷基等；Q代表氢原子等；R3代表—C（═O）NR8R9（其中R8和R9可以相同或不同，每个代表氢原子等）等；L1代表—CR11AR11B—（其中R11A和R11B可以相同或不同，每个代表氢原子等）等；W1和W2可以相同或不同，每个代表C—R12（其中R12代表氢原子等）等。
• RING-FUSED HETEROCYCLIC COMPOUND
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：US20150284384A1

  公开（公告）日：2015-10-08

  The ring-fused heterocyclic compound or a pharmaceutically acceptable salt thereof according to the present invention has a T-type calcium channel regulatory effect, and is useful, for example, as a medicament for treating and/or preventing pruritus. The present invention provides a ring-fused heterocyclic compound represented by the following general formula (I) or a pharmaceutically acceptable salt thereof and the like which has a T-type calcium channel regulatory effect and is useful as a therapeutic and/or preventive agent for pruritus, and the like. [wherein, R 1 represents optionally substituted lower alkyl and the like, R 2 represents optionally substituted lower alkyl and the like, R 3 represents the formula (II): (wherein, n represents 0 or 1, R 3a represents a hydrogen atom and the like, R 3b represents a hydrogen atom and the like, and R 3c represents a hydrogen atom and the like) and the like, Q represents a hydrogen atom and the like, and W 1 represents a nitrogen atom and the like, W 2 represents a nitrogen atom and the like]

  根据本发明，环融合杂环化合物或其药学上可接受的盐具有T型钙通道调节作用，例如，可用作治疗和/或预防瘙痒的药物。本发明提供了由以下一般式(I)或其药学上可接受的盐等表示的环融合杂环化合物，具有T型钙通道调节作用，可用作治疗和/或预防瘙痒等疾病的治疗和/或预防剂。其中，R1代表可选取代的低碳基等，R2代表可选取代的低碳基等，R3代表公式(II)：（其中，n代表0或1，R3a代表氢原子等，R3b代表氢原子等，R3c代表氢原子等）等，Q代表氢原子等，W1代表氮原子等，W2代表氮原子等。
• RING-FUSED HETEROCYCLIC DERIVATIVE
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP2671582B1

  公开（公告）日：2016-07-13
• US9540366B2
  申请人：——

  公开号：US9540366B2

  公开（公告）日：2017-01-10
• CONDENSED RING HETEROCYCLIC COMPOUND
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP2881394B1

  公开（公告）日：2018-03-21