3-环己氧基苯甲酸 | 158861-00-8

• 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: 3-环己氧基苯甲酸
• 英文名称: 3-cyclohexyloxybenzoic acid
• 英文别名: 3-(Cyclohexyloxy)benzoic acid
• CAS: 158861-00-8
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: SEYKRNISPOBNMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  380.4±15.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  3
• 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

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  3-环己氧基苯甲酸 、 (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (4-pentylphenyl)amide 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 氯仿 为溶剂， 生成 (3S)-2-(3-cyclohexyloxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
  参考文献：
  名称：

  Discovery of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid diamides that increase CFTR mediated chloride transport

  摘要：

  A series of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid diamides that increase chloride transport in cells expressing mutant cystic fibrosis transmembrane conductance regulator (CFTR) protein has been identified from our compound library. Analoging efforts and the resulting structure-activity relationships uncovered are detailed. Compound potency was improved over 30-fold from the original lead, yielding several analogs with EC50 values below 10 nM in our cellular chloride transport assay. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.041

文献信息

• NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE
  申请人：Nakamura Tetsuya

  公开号：US20090239860A1

  公开（公告）日：2009-09-24

  The present invention provides compounds represented by general formula (I): or pharmaceutical acceptable salts thereof, wherein R 1 is hydrogen or lower alkyl; R 2 is lower alkyl, halo-lower alkyl, cycloalkyl, heterocycloalkyl, aryl, aralkyl, arylalkenyl, aryloxy-lower alkyl, heteroaryl, heteroaryl-lower alkyl, etc; R 3 , R 4 , R 5 and R 6 are each hydrogen, halogen, cyano, lower alkyl, halo-lower alkyl, lower alkoxy, hydroxy, aryl, etc; provided that at least one of R 3 , R 4 , R 5 and R 6 is other than hydrogen. Compound (I) of the present invention shows a potent adenosine A 2A receptor antagonistic activity, and are useful for treating or preventing a disease mediated by adenosine A 2A receptors such as motor function disorders, depression, anxiety disorders, cognitive function disorders, cerebral ischemia disorders, restless legs syndrome and the like.

  本发明提供了通式(I)所表示的化合物或其药物可接受的盐，其中R1是氢或低碳基；R2是低碳基，卤代低碳基，环烷基，杂环烷基，芳基，芳基烷基，芳基烯基，芳氧基-低碳基，杂芳基，杂芳基-低碳基等；R3、R4、R5和R6均为氢、卤素、氰基、低碳基、卤代低碳基、低碳氧基、羟基、芳基等；其中至少有一个R3、R4、R5和R6不是氢。本发明的化合物(I)表现出强大的腺苷A2A受体拮抗活性，并且可用于治疗或预防由腺苷A2A受体介导的疾病，例如运动功能障碍、抑郁症、焦虑症、认知功能障碍、脑缺血性疾病、不宁腿综合征等。
• ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS
  申请人：Tachdjian Catherine

  公开号：US20120183660A1

  公开（公告）日：2012-07-19

  The present invention provides isomannide derivatives having structural formula (I) as shown below and certain subgenera or species thereof, as flavoring agents or tastants, flavor or taste modifiers, and/or flavor/taste enhancers, particularly, savory (“umami”) flavoring agent or tastant, savory taste modifiers, and/or savory flavor enhancers, for ingestible compositions. The present invention also provides methods of preparing isomannide derivatives having the structural formula (II) shown below and certain subgenera or species thereof.

  本发明提供了具有如下所示的结构式(I)及其某些亚属或种类的异曼尼糖衍生物，作为风味剂或味觉剂，风味或味觉调节剂，以及/或风味/味觉增强剂，特别是咸味（"鲜味"）风味剂或味觉剂，咸味调节剂和/或咸味风味增强剂，用于可食用组合物。本发明还提供了制备具有如下所示的结构式(II)及其某些亚属或种类的异曼尼糖衍生物的方法。
• Carboxylic acid derivatives having 5 alpha-reductase inhibitory activity
  申请人：Mitsubishi Chemical Corporation

  公开号：EP0579223B1

  公开（公告）日：1996-10-09
• US5385917A
  申请人：——

  公开号：US5385917A

  公开（公告）日：1995-01-31
• [EN] ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS<br/>[FR] DÉRIVÉS D’ISOMANNIDE ET LEUR UTILISATION COMME SUBSTANCES DONNANT DU GOÛT
  申请人：SENOMYX INC

  公开号：WO2011002871A2

  公开（公告）日：2011-01-06

  The present invention provides isomannide derivatives having structural formula (I) as shown below and certain subgenera or species thereof, as flavoring agents or tastants, flavor or taste modifiers, and/or flavor/taste enhancers, particularly, savory ("umami") flavoring agent or tastant, savory taste modifiers, and/or savory flavor enhancers, for ingestible compositions. The present invention also provides methods of preparing isomannide derivatives having the structural formula (II) shown below and certain subgenera or species thereof. Formulae (I) and (II).