3-(1-hydroxy-2-propynyl)-benzoic acid

• 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-(1-hydroxy-2-propynyl)-benzoic acid
• 英文别名: 3-(1-Hydroxy-2-propynyl)-benzoic acid；3-(1-hydroxyprop-2-ynyl)benzoic acid
• 化学式: C₁₀H₈O₃
• 分子量: 176.172
• InChiKey: BZGAMEPYZNUVEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  2
• 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-(1-hydroxy-2-propynyl)-benzoic acid 、 N⁶-ethyl-9-(N-ethyl-β-D-ribofuranuronamide)-2-iodoadenine 在 copper(l) iodide 、 Pd(PPh₃)2X₂ (X=Cl or Ph) 、 三乙胺 作用下， 生成 3-{3-[6-Ethylamino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1-hydroxy-prop-2-ynyl}-benzoic acid
  参考文献：
  名称：

  N6-Ethyl-2-alkynyl NECAs, selective human A3 adenosine receptor agonists

  摘要：

  A series of N-6-ethyl-2-alkynyl NECA (5'-N-ethylcarboxamidoadenosine) analogs were synthesized and their binding affinity with the four human adenosine receptors was evaluated. One of the compounds ZR1121 shows high affinity with hA(3) receptor and its selectivity over hA(1) receptor is 1-2 log orders greater than IB-MECA or Cl-1B-MECA, the currently employed selective A(3) agonists. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.110
• 作为产物：
  描述：

  3-甲醛苯甲酸甲酯 、 乙炔基溴化镁 在 水 、 氯化铵 作用下， 以 四氢呋喃 为溶剂， 以69%的产率得到3-(1-hydroxy-2-propynyl)-benzoic acid
  参考文献：
  名称：

  Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease

  摘要：

  从吲哚衍生的化合物，在治疗中特别有用，从以下中选择： i) 公式的化合物： 和 ii) 公式（I）的化合物的药用盐； 其中R1、R2、R3、R4、R5、R6、R8、R9和Cy具有定义的含义，并且在制药中使用这些化合物治疗神经退行性疾病，特别是帕金森病。

  公开号：

  US20120232070A1

文献信息

• Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease
  申请人：Amaudrut Jerome

  公开号：US20120232070A1

  公开（公告）日：2012-09-13

  Compounds derived from indole, notably useful in therapeutics, selected from: i) the compounds of formula: and ii) the pharmaceutically acceptable salts of the compounds of formula (I); in which R1, R2, R3, R4, R5, R6, R8, R9 and Cy have defined meanings, and the use of such compounds in pharmaceuticals for the treatment of neurodegenerative diseases, particularly Parkinson's disease.

  从吲哚衍生的化合物，在治疗中特别有用，从以下中选择： i) 公式的化合物： 和 ii) 公式（I）的化合物的药用盐； 其中R1、R2、R3、R4、R5、R6、R8、R9和Cy具有定义的含义，并且在制药中使用这些化合物治疗神经退行性疾病，特别是帕金森病。
• N6-Ethyl-2-alkynyl NECAs, selective human A3 adenosine receptor agonists
  作者：Ran Zhu、Cynthia R. Frazier、Joel Linden、Timothy L. Macdonald

  DOI：10.1016/j.bmcl.2006.01.110

  日期：2006.5

  A series of N-6-ethyl-2-alkynyl NECA (5'-N-ethylcarboxamidoadenosine) analogs were synthesized and their binding affinity with the four human adenosine receptors was evaluated. One of the compounds ZR1121 shows high affinity with hA(3) receptor and its selectivity over hA(1) receptor is 1-2 log orders greater than IB-MECA or Cl-1B-MECA, the currently employed selective A(3) agonists. (C) 2006 Elsevier Ltd. All rights reserved.