4-hydroxy-4-(3-methoxy-phenyl)-cyclohexanone | 40503-16-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-hydroxy-4-(3-methoxy-phenyl)-cyclohexanone
• 英文别名: 4-Hydroxy-4-(3-methoxyphenyl)cyclohexanone；4-m-Anisyl-4-hydroxycyclohexanon；4-Hydroxy-4-(3-methoxyphenyl)cyclohexan-1-one
• CAS: 40503-16-0
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: OUWPXYDIJLVUSG-UHFFFAOYSA-N

物化性质

• 熔点：
  105-108 °C
• 沸点：
  394.9±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-hydroxy-4-(3-methoxy-phenyl)-cyclohexanone 生成 4-(3-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：

  (3-methoxyphenyl)magnesium bromide 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 4-hydroxy-4-(3-methoxy-phenyl)-cyclohexanone
  参考文献：
  名称：

  Development of a presynaptic 5-HT1A antagonist

  摘要：

  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.

  DOI：

  10.1016/s0960-894x(02)00879-x

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。
• Substituted C-cyclohexylmethylamine derivatives
  申请人：GRUENENTHAL GmbH

  公开号：US20030232891A1

  公开（公告）日：2003-12-18

  Substituted C-cyclohexylmethylamine derivatives, methods for the production thereof, pharmaceuticals containing said compounds, the use of substituted C-cyclohexylmethylamine derivatives for producing pharmaceuticals, and method of pain treatment using the pharmaceuticals.

  取代的C-环己甲基胺衍生物，其生产方法，含有该化合物的药物，利用取代的C-环己甲基胺衍生物生产药物的用途，以及使用这些药物进行疼痛治疗的方法。
• Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds
  申请人：——

  公开号：US20040224954A1

  公开（公告）日：2004-11-11

  The invention relates to substituted (1H)quinoxalin-2-one compounds, methods for production thereof, medicaments containing said compounds and the use of said compounds for the production of medicaments. The invention further relates to substituted 4-aryl- and 4-heteroarylcyclohexane compounds and methods for production thereof.

  本发明涉及取代的(1H)喹喔啉-2-酮化合物，其制备方法，含有该化合物的药物以及使用该化合物制备药物的用途。本发明还涉及取代的4-芳基和4-杂环芳基环己烷化合物及其制备方法。
• Novel piperidine derivative
  申请人：Ban Hitoshi

  公开号：US20070078120A1

  公开（公告）日：2007-04-05

  The invention provides a compound of the following formula (1): wherein m, n, and p are independently an integer of 0-4, provided 3≦m+n≦8; X is nitrogen atom or a group of the formula: C—R 15 ; Y is a substituted or unsubstituted aromatic group, etc.; R 15 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are hydrogen atom, a substituted or unsubstituted alkyl group, etc.; and Z is hydrogen atom, cyano group, etc., or a prodrug thereof, or a pharmaceutically acceptable salt thereof, which exhibits an action for enhancing LDL receptor expression, and is useful as a medicament for treating hyperlipidemia, atherosclerosis, etc.

  本发明提供了以下式(1)的化合物：其中m，n和p分别是0-4的整数，满足3≦m+n≦8；X是氮原子或式：C—R15的基团；Y是取代或未取代的芳香基团等；R15，R1，R2，R3，R4，R5，R6和R7是氢原子，取代或未取代的烷基等；Z是氢原子，氰基等，或其前药，或其药学上可接受的盐，具有增强LDL受体表达的作用，并且可用作治疗高脂血症，动脉粥样硬化等药物。
• 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。