3-hydroxy-4-(2-propenyl)benzoic acid | 103204-81-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-hydroxy-4-(2-propenyl)benzoic acid
• 英文别名: 4-allyl-3-hydroxy-benzoic acid；4-Allyl-3-hydroxy-benzoesaeure；3-Hydroxy-4-allyl-benzoesaeure；3-Hydroxy-4-prop-2-enylbenzoic acid
• CAS: 103204-81-5
• 化学式: C₁₀H₁₀O₃
• 分子量: 178.188
• InChiKey: CMDMNRAKCXDBMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-hydroxy-4-(2-propenyl)benzoic acid 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 反应 3.5h， 生成 3-羟基-4-(2-丙烯基)苯甲酸甲酯
  参考文献：
  名称：

  Aminoalkylindoles: Structure-Activity Relationships of Novel Cannabinoid Mimetics

  摘要：

  Aminoalkylindoles (AAIs) are a novel series of cannabinoid receptor ligands. In this report we disclose the structural features of AAIs which are important for binding to this receptor as measured by inhibition of binding of [H-3]Win 55212-2 (5). Functional activity in the mouse vas deferens is also noted and used to distinguish agonists from potential antagonists. The key structural features for potent cannabinoid activity in this series are a bicyclic (naphthyl) substituent at the 3-position, a small (II) substituent at the 2-position, and an aminoethyl (morpholinoethyl) substituent at the 1-position. A 6-bromo analog, Win 54461 (31), has been identified as a potential cannabinoid receptor antagonist. Modeling experiments were done to develop a pharmacophore and also to compare AAI structures with those of classical cannabinoids. The fact that the cannabinoid AAIs arose out of work on a series of cyclooxygenase inhibitors makes sense now that an endogenous cannabinoid ligand has been identified which is a derivative of arachidonic acid. Because of their unique structures and physical properties, AAIs provide useful tools to study the structure and function of the cannabinoid receptor(s).

  DOI：

  10.1021/jm00016a013
• 作为产物：
  描述：

  methyl 3-(allyloxy)benzoate 生成 3-hydroxy-4-(2-propenyl)benzoic acid
  参考文献：
  名称：

  El Said, 1953, vol. 35, # 10, p. 81,85

  摘要：

  DOI：

文献信息

• Quinazoline derivatives
  申请人：——

  公开号：US20040044015A1

  公开（公告）日：2004-03-04

  The invention concerns quinazoline derivatives of Formula (I) wherein each of m, R 1 , n, R 2 and R 3 have any of the meanings defined in the description; process for the preparation, pharmaceutical compositions them and their use in the manufacture of a medicament for use as an anti-invasive agent in the containment and/or treatment of solid tumour disease.

  这项发明涉及式（I）的喹唑啉衍生物，其中m、R1、n、R2和R3中的每一个具有描述中定义的任意含义；制备过程，药物组合物及其在制备用作抗侵袭剂的药物中的使用，用于包含和/或治疗固体肿瘤疾病。
• Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals
  申请人：——

  公开号：US20040122069A1

  公开（公告）日：2004-06-24

  Diarylcycloalkyl derivatives and their physiologically acceptable salts and physiologically functional derivatives are disclosed. The compounds include those of formula I, 1 in which the radicals are as defined, and their physiologically acceptable salts and processes for their preparation. The compounds typically have lipid- and/or triglyceride-lowering properties and are suitable, for example, for the treatment of disorders of lipid metabolism, of type II diabetes, and of syndrome X.

  披露了二芳基环烷基衍生物及其生理上可接受的盐和生理功能衍生物。这些化合物包括式I,1中定义的基团，以及它们的生理上可接受的盐和制备方法。这些化合物通常具有降脂和/或三酸甘油酯降低作用，并且适用于例如治疗脂质代谢紊乱、II型糖尿病和X综合征等疾病。
• Gomez, Journal de Pharmacie et de Chimie, 1934, vol. <8> 20, p. 337,340
  作者：Gomez

  DOI：——

  日期：——
• El Said, 1953, vol. 35, # 10, p. 81,86
  作者：El Said

  DOI：——

  日期：——
• QUINAZOLINE DERIVATIVES
  申请人：AstraZeneca AB

  公开号：EP1326860A1

  公开（公告）日：2003-07-16