4-氰基-4-(2-氟苯基)环己酮 | 179064-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氰基-4-(2-氟苯基)环己酮
• 英文名称: 1-(2-fluorophenyl)-4-oxocyclohexanecarbonitrile
• 英文别名: 1-cyano-1-(2-fluorophenyl)cyclohexan-4-one；1-(2-Fluorophenyl)-4-oxocyclohexane-1-carbonitrile
• CAS: 179064-61-0
• 化学式: C₁₃H₁₂FNO
• 分子量: 217.243
• InChiKey: SLIRWSUQYAHPHU-UHFFFAOYSA-N

物化性质

• 沸点：
  380.4±42.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氰基-4-(2-氟苯基)环己酮 在 镍 TEA 、 氢气 、 乙二胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Potent bradykinin B1 receptor antagonists: 4-Substituted phenyl cyclohexanes

  摘要：

  Selective bradykinin (BK) B-1 receptor antagonists have been shown to be antinociceptive in animal models and could be novel therapeutic agents for the treatment of pain and inflammation. Elucidation of the structure-activity relationships of the biphenyl moiety of the lead compound 1 provided a potent new structural class of BK B-1 receptor antagonists. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.059
• 作为产物：
  描述：

  Methyl 5-cyano-5-(2-fluorophenyl)-2-oxocyclohexanecarboxylate 生成 4-氰基-4-(2-氟苯基)环己酮
  参考文献：
  名称：

  Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11β-HSD1 inhibitors

  摘要：

  The synthesis and SAR of a series of 4,4-disubstituted cyclohexylbenzamide inhibitors of 11 beta-HSD1 are described. Optimization rapidly led to potent, highly selective, and orally bioavailable inhibitors demonstrating efficacy in both rat and non-human primate ex vivo pharmacodynamic models. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.129

文献信息

• Benzamide derivatives and uses related thereto
  申请人：Powers P. Jay

  公开号：US20070299080A1

  公开（公告）日：2007-12-27

  Benzamide derivatives of formula I are described and have therapeutic utility, particularly in the treatment of diabetes, obesity and related conditions and disorders: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and n are as defined herein.

  公式I的苯甲酰胺衍生物已被描述，并具有治疗效用，特别是在治疗糖尿病、肥胖和相关疾病和紊乱方面：其中R1、R2、R3、R4、R5、R6、R7、R8和n如本文所定义。
• [EN] SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS<br/>[FR] ISOQUINOLINES ET ISOQUINOLINONES SUBSTITUÉES UTILISÉES COMME INHIBITEURS DE RHO-KINASE
  申请人：SANOFI AVENTIS

  公开号：WO2009156100A1

  公开（公告）日：2009-12-30

  The invention relates to substituted isoquinoline and isoquinolinones of the formula (I) useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

  该发明涉及用于治疗和/或预防与Rho激酶和/或Rho激酶介导的肌球蛋白轻链磷酸酶磷酸化相关疾病的配方(I)的取代异喹啉和异喹啉酮，以及含有这种化合物的组合物。
• CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION
  申请人：Lloyd John

  公开号：US20070142333A1

  公开（公告）日：2007-06-21

  Novel cycloalkyl compounds useful as inhibitors of potassium channel function (especially inhibitors of the K v 1 subfamily of voltage gated K + channels, especially inhibitors K v 1.5 which has been linked to the ultra-rapidly activating delayed rectifier K + current I Kur ), methods of using such compounds in the prevention and treatment of arrhythmia and I Kur -associated conditions, and pharmaceutical compositions containing such compounds.

  新型环烷基化合物可作为钾通道功能抑制剂使用（特别是钾离子电压门控K+通道的Kv1亚家族的抑制剂，特别是与超快速激活延迟整流K+电流IKur相关的Kv1.5抑制剂），使用这种化合物预防和治疗心律失常和IKur相关疾病的方法，以及含有这种化合物的药物组合物。
• Tricyclic spiro compounds process for their preparation and their use of
  申请人：SmithKline Beecham plc

  公开号：US05952325A1

  公开（公告）日：1999-09-14

  Novel amide derivatives of formula (I), processes for their preparation, pharmaceutical compositions containing them and their use as medicaments are disclosed. ##STR1##

  本发明揭示了公式(I)的新型酰胺衍生物，其制备方法，含有它们的制药组合物以及它们作为药物的用途。##STR1##
• Tricyclic spiro compounds as 5HT.sub.1D receptor antagonists
  申请人：SmithKline Beecham p.l.c.

  公开号：US05972979A1

  公开（公告）日：1999-10-26

  Novel heterocyclic derivatives, processes for their preparation, pharmaceutical compositions containing them and their use as medicaments are disclosed.

  本发明公开了新型杂环衍生物、其制备方法、含有它们的制药组合物以及它们作为药物的用途。