反式-4-氰基环己烷羰基氯化物 | 63136-90-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 中文名称: 反式-4-氰基环己烷羰基氯化物
• 英文名称: 4-Cyano-cyclohexanecarbonyl chloride
• CAS: 63136-90-3
• 化学式: C₈H₁₀ClNO
• 分子量: 171.626
• InChiKey: XTNVLEVPXCVDTB-LJGSYFOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.08
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  40.86
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  反式-4-氰基环己烷羰基氯化物 在 sodium hydroxide 、 四丁基硫酸氢铵 、 zinc(II) chloride 作用下， 反应 9.5h， 生成 (1-pivaloyloxy)ethyl trans-4-cyanocyclohexanecarboxylate
  参考文献：
  名称：

  Tranexamic acid derivatives with enhanced absorption

  摘要：

  Derivatives of the antifibrinolytic drug tranexamic acid [trans-4-(aminomethyl)cyclohexanecarboxylic acid] containing one or two tranexamic acid moieties were synthesized. Most of the derivatives have good stability in acidic and neutral solutions but are easily hydrolyzed in plasma. By measuring the amount of tranexamic acid excreted in the urine after an oral dose, relative absorptions of a number of derivatives in the rat were estimated. Most of the derivatives showed greater absorption than tranexamic acid itself. 1-[(Ethoxycarbonyl)oxy]ethyl trans-4-(amino-methyl)cyclohexanecarboxylate hydrochloride was chosen for studies in man.

  DOI：

  10.1021/jm00154a004
• 作为产物：
  描述：

  4-cyanocyclohexane-1-carboxylic acid 在 氯化亚砜 作用下， 反应 0.5h， 生成 反式-4-氰基环己烷羰基氯化物
  参考文献：
  名称：

  Tranexamic acid derivatives with enhanced absorption

  摘要：

  Derivatives of the antifibrinolytic drug tranexamic acid [trans-4-(aminomethyl)cyclohexanecarboxylic acid] containing one or two tranexamic acid moieties were synthesized. Most of the derivatives have good stability in acidic and neutral solutions but are easily hydrolyzed in plasma. By measuring the amount of tranexamic acid excreted in the urine after an oral dose, relative absorptions of a number of derivatives in the rat were estimated. Most of the derivatives showed greater absorption than tranexamic acid itself. 1-[(Ethoxycarbonyl)oxy]ethyl trans-4-(amino-methyl)cyclohexanecarboxylate hydrochloride was chosen for studies in man.

  DOI：

  10.1021/jm00154a004

文献信息

• AMINOPYRIMIDINES AS SYK INHIBITORS
  申请人：Altman Michael D.

  公开号：US20140148474A1

  公开（公告）日：2014-05-29

  The present invention provides novel pyrimidine amines of formula I which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis and cancer.

  本发明提供了一种新型的嘧啶胺化合物I，它们是脾脏酪氨酸激酶的有效抑制剂，并可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺病、类风湿性关节炎和癌症。
• Aminopyrimidines as Syk inhibitors
  申请人：Altman Michael D.

  公开号：US09290490B2

  公开（公告）日：2016-03-22

  The present invention provides novel pyrimidine amines of formula I which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis and cancer.

  本发明提供了一种新型的嘧啶胺式化合物I，它是脾酪氨酸激酶的有效抑制剂，可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺疾病、类风湿性关节炎和癌症。
• ANTHRANILIC ACID DERIVATIVE
  申请人：Eisai Co., Ltd.

  公开号：EP0686625A1

  公开（公告）日：1995-12-13

  An anthranilic acid derivative having a cGMP-PDE inhibitory activity and represented by general formula (I), or a pharmacologically acceptable salt thereof wherein R¹, R², R³ and R⁴ represent each independently hydrogen, halogen, hydroxy, optionally halogenated lower alkyl, optionally halogenated lower alkoxy, nitro, hydroxyalkyl, cyano, etc.; R⁵ and R⁶ represent each independently hydrogen, halogen hydroxy, cyano, optionally halogenated lower alkyl, optionally halogenated lower alkoxy, etc.; W represents -N= or -CH=; R⁷ and R⁸ represent each independently hydrogen, optionally halogenated lower alkyl, etc.; A represents hydrogen, optionally halogenated lower alkyl, etc.; Z represents hydroxy, optionally halogenated lower alkoxy, cyano, halogen, etc.; Y represents oxygen or sulfur; and n represents an integer of 0, 1 to 6.

  一种具有 cGMP-PDE 抑制活性且由通式 (I) 表示的蒽酸衍生物或其药理学上可接受的盐 其中 R¹、R²、R³ 和 R⁴ 各自独立地代表氢、卤素、羟基、可选卤代低级烷基、可选卤代低级烷氧基、硝基、羟基烷基、氰基等；R⁵ 和 R⁶ 各自独立地代表氢、卤素羟基、氰基、可选卤代低级烷基、可选卤代低级烷氧基等。R⁵ 和 R⁶ 各自独立地代表氢、卤素羟基、氰基、任选卤代低 级烷基、任选卤代低级烷氧基等；W 代表 -N= 或 -CH=；R⁷ 和 R⁸ 各自独立地代表氢、任选卤代低 级烷基等。A 代表氢、任选卤化的低级烷基等；Z 代表羟基、任选卤化的低级烷氧基、氰基、卤素等；Y 代表氧或硫；n 代表 0、1 至 6 的整数。
• Farnesoid X receptor agonists and uses thereof
  申请人：Metacrine, Inc.

  公开号：US11236071B1

  公开（公告）日：2022-02-01

  Described herein are compounds that are farnesoid X receptor agonists, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with farnesoid X receptor activity.

  本文描述了法尼类固醇 X 受体激动剂化合物、制造此类化合物的方法、包含此类化合物的药物组合物和药物，以及使用此类化合物治疗与法尼类固醇 X 受体活性相关的病症、疾病或紊乱的方法。
• JP1040452A
  申请人：——

  公开号：JP1040452A

  公开（公告）日：1989-02-10