4-羟基-4-(4-甲氧基-苯基)-环己酮 | 40503-85-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-羟基-4-(4-甲氧基-苯基)-环己酮
• 英文名称: 4-hydroxy-4-(4-methoxy-phenyl)-cyclohexanone
• 英文别名: 4-p-Anisyl-4-hydroxycyclohexanon；4-hydroxy-4-(4-methoxyphenyl)cyclohexan-1-one
• CAS: 40503-85-3
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: GETOMYJAUSLEJR-UHFFFAOYSA-N

物化性质

• 沸点：
  385.9±42.0 °C(Predicted)
• 密度：
  1.180±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-羟基-4-(4-甲氧基-苯基)-环己酮 生成 4-(4-甲氧基苯基)环己酮
  参考文献：
  名称：

  联苯部分还原为中枢神经系统制剂。2.顺式和反式4-芳基环己胺。

  摘要：

  DOI：

  10.1021/jm00282a009
• 作为产物：
  描述：

  4-(苄氧基)环已酮 在 chromium(VI) oxide 、 硫酸 作用下， 以 四氢呋喃 为溶剂， 生成 4-羟基-4-(4-甲氧基-苯基)-环己酮
  参考文献：
  名称：

  Humphreys,D.J. et al., Journal of the Chemical Society. Perkin transactions I, 1978, p. 24 - 33

  摘要：

  DOI：

文献信息

• 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2
  申请人：Zhang Xuqing

  公开号：US20100267689A1

  公开（公告）日：2010-10-21

  The present invention comprises compounds of Formula (I): wherein: X, R 1 , R 2 , R 3 , and R 4 are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).

  本发明涵盖了以下式（I）的化合物： 其中：X，R1，R2，R3和R4如规范中所定义。该发明还涵盖了一种预防、治疗或改善综合征、疾病或疾病的方法，其中所述综合征、疾病或疾病是II型糖尿病、肥胖和哮喘。该发明还涵盖了通过给哺乳动物施用至少一种式（I）化合物的治疗有效量来抑制CCR2活性的方法。
• 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2
  申请人：Zhang Xuqing

  公开号：US08513229B2

  公开（公告）日：2013-08-20

  The present invention comprises compounds of Formula (I): wherein: X, R1, R2, R3, and R4 are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).

  本发明涉及公式（I）的化合物：其中：X，R1，R2，R3和R4如规范中所定义。该发明还涉及一种预防、治疗或改善综合征、障碍或疾病的方法，其中所述综合征、障碍或疾病是2型糖尿病、肥胖症和哮喘。该发明还涉及一种通过给哺乳动物以公式（I）中至少一种化合物的治疗有效量来抑制CCR2活性的方法。
• Overcoming hERG activity in the discovery of a series of 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists
  作者：Xuqing Zhang、Heather Hufnagel、Thomas Markotan、James Lanter、Chaozhong Cai、Cuifen Hou、Monica Singer、Evan Opas、Sandra McKenney、Carl Crysler、Dana Johnson、Zhihua Sui

  DOI：10.1016/j.bmcl.2011.06.080

  日期：2011.9

  A series of 4-azetidinyl-1-aryl-cyclohexanes as potent CCR2 antagonists with high selectivity over activity for the hERG potassium channel is discovered through divergent SARs of CCR2 and hERG. (C) 2011 Elsevier Ltd. All rights reserved.
• Development of a presynaptic 5-HT1A antagonist
  作者：Ronald J Mattson、John D Catt、Charles P Sloan、Qi Gao、Richard B Carter、Anthony Gentile、Cathy D Mahle、F.Fatima Matos、Rachel McGovern、Cam P VanderMaelen、Frank D Yocca

  DOI：10.1016/s0960-894x(02)00879-x

  日期：2003.1

  A new 5-HT1A silent antagonist 14 (5-HT1A IC50 = 2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT1A release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). (C) 2002 Elsevier Science Ltd. All rights reserved.
• US8513229B2
  申请人：——

  公开号：US8513229B2

  公开（公告）日：2013-08-20