4,4-二氟-1-羟基环己烷-1-甲腈 | 1150617-90-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,4-二氟-1-羟基环己烷-1-甲腈
• 英文名称: 4,4-difluoro-1-hydroxycyclohexanecarbonitrile
• 英文别名: 4,4-Difluoro-1-hydroxycyclohexane-1-carbonitrile
• CAS: 1150617-90-5
• 化学式: C₇H₉F₂NO
• 分子量: 161.151
• InChiKey: OZCPVUQKSCQYOD-UHFFFAOYSA-N

物化性质

• 沸点：
  264.5±40.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,4-二氟-1-羟基环己烷-1-甲腈 在 dimethyl sulfide borane 作用下， 以 四氢呋喃 为溶剂， 生成 1-(aminomethyl)-4,4-difluorocyclohexanol
  参考文献：
  名称：

  Discovery of 2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide as a potent and CNS penetrable P2X7 receptor antagonist

  摘要：

  Focused SAR studies were carried out around 5-heteroaryl and 1-amide portions of the 2-chlorobenzamide scaffold, resulting in the discovery of a potent, metabolically stable and centrally penetrable antagonist against P2X(7) receptor. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.094
• 作为产物：
  描述：

  三甲基氰硅烷 、 4,4-二氟环已酮 在 zinc(II) iodide 作用下， 以 二氯甲烷 为溶剂， 生成 4,4-二氟-1-羟基环己烷-1-甲腈
  参考文献：
  名称：

  Discovery of 2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide as a potent and CNS penetrable P2X7 receptor antagonist

  摘要：

  Focused SAR studies were carried out around 5-heteroaryl and 1-amide portions of the 2-chlorobenzamide scaffold, resulting in the discovery of a potent, metabolically stable and centrally penetrable antagonist against P2X(7) receptor. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.094

文献信息

• [EN] AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS<br/>[FR] DÉRIVÉS AZASPIRO EN TANT QU'ANTAGONISTES DE TRPM8
  申请人：RAQUALIA PHARMA INC

  公开号：WO2015136947A1

  公开（公告）日：2015-09-17

  The present invention relates to azaspiro derivatives of the formula (I) or a pharmaceutically acceptable salt thereof or a prodrug thereof, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders which are mediated via the TRPM8 receptor.

  本发明涉及式(I)的氮杂环螺环衍生物或其药用可接受盐或前药，其制备方法，含有它们的药物组合物以及它们在治疗通过TRPM8受体介导的各种疾病中的应用。
• Azaspiro derivatives as TRPM8 antagonists
  申请人：RaQualia Pharma Inc.

  公开号：US10093678B2

  公开（公告）日：2018-10-09

  The present invention relates to azaspiro derivatives of the formula (I) or a pharmaceutically acceptable salt thereof or a prodrug thereof, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders which are mediated via the TRPM8 receptor.

  本发明涉及式（I）的氮杂螺衍生物或其药学上可接受的盐或其原药、其制备工艺、含有它们的药物组合物以及它们在治疗通过 TRPM8 受体介导的各种疾病中的用途。
• AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS
  申请人：RaQualia Pharma Inc.

  公开号：EP3116858B1

  公开（公告）日：2020-11-11
• SPIRO-OXAZOLONES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3107916B1

  公开（公告）日：2019-03-20
• Discovery of 2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide as a potent and CNS penetrable P2X7 receptor antagonist
  作者：Xiangyang Chen、Betsy Pierce、Win Naing、Margaret L. Grapperhaus、Dennis P. Phillion

  DOI：10.1016/j.bmcl.2010.03.094

  日期：2010.5

  Focused SAR studies were carried out around 5-heteroaryl and 1-amide portions of the 2-chlorobenzamide scaffold, resulting in the discovery of a potent, metabolically stable and centrally penetrable antagonist against P2X(7) receptor. (C) 2010 Elsevier Ltd. All rights reserved.