3-Phenylpropyl tetrahydropyridazine-1(2H)-carboxylate | 648958-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-Phenylpropyl tetrahydropyridazine-1(2H)-carboxylate
• 英文别名: 3-phenylpropyl diazinane-1-carboxylate
• CAS: 648958-35-4
• 化学式: C₁₄H₂₀N₂O₂
• 分子量: 248.325
• InChiKey: MSFZVNAINMWEBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  367.0±35.0 °C(Predicted)
• 密度：
  1.104±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Phenylpropyl tetrahydropyridazine-1(2H)-carboxylate 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 2-(3,3-Dimethyl-2-oxo-pentanoyl)-tetrahydro-pyridazine-1-carboxylic acid 3-phenyl-propyl ester
  参考文献：
  名称：

  Synthesis, molecular modeling and biological evaluation of aza-proline and aza-pipecolic derivatives as FKBP12 ligands and their in vivo neuroprotective effects

  摘要：

  Nonimmunosuppressant ligands, exemplified by GPI 1046 (1), for the peptidyl-prolyl isomerase FKBP12 have been found to unexpectedly possess powerful neuroprotective and neuroregenerative effects in vitro and in vivo. We have extensively explored the therapeutic utility of FKBP12 ligands based on analogues of proline and pipecolic acid. As part of our ongoing program to explore novel structural classes of FKBP12 ligands, we herein wish to report a new class of FKBP12 ligands containing aza-proline and aza-pipecolic acid analogues. Details of the synthetic studies, together with biological activity will be presented. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00478-4
• 作为产物：
  描述：

  3-苯丙醇 以 二氯甲烷 为溶剂， 生成 3-Phenylpropyl tetrahydropyridazine-1(2H)-carboxylate
  参考文献：
  名称：

  Synthesis, molecular modeling and biological evaluation of aza-proline and aza-pipecolic derivatives as FKBP12 ligands and their in vivo neuroprotective effects

  摘要：

  Nonimmunosuppressant ligands, exemplified by GPI 1046 (1), for the peptidyl-prolyl isomerase FKBP12 have been found to unexpectedly possess powerful neuroprotective and neuroregenerative effects in vitro and in vivo. We have extensively explored the therapeutic utility of FKBP12 ligands based on analogues of proline and pipecolic acid. As part of our ongoing program to explore novel structural classes of FKBP12 ligands, we herein wish to report a new class of FKBP12 ligands containing aza-proline and aza-pipecolic acid analogues. Details of the synthetic studies, together with biological activity will be presented. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00478-4

文献信息

• Synthesis, molecular modeling and biological evaluation of aza-proline and aza-pipecolic derivatives as FKBP12 ligands and their in vivo neuroprotective effects
  作者：Douglas E Wilkinson、Bert E Thomas、David C Limburg、Agnes Holmes、Hansjorg Sauer、Douglas T Ross、Raj Soni、Yi Chen、Hong Guo、Pamela Howorth、Heather Valentine、Dawn Spicer、Mike Fuller、Joseph P Steiner、Gregory S Hamilton、Yong-Qian Wu

  DOI：10.1016/s0968-0896(03)00478-4

  日期：2003.11

  Nonimmunosuppressant ligands, exemplified by GPI 1046 (1), for the peptidyl-prolyl isomerase FKBP12 have been found to unexpectedly possess powerful neuroprotective and neuroregenerative effects in vitro and in vivo. We have extensively explored the therapeutic utility of FKBP12 ligands based on analogues of proline and pipecolic acid. As part of our ongoing program to explore novel structural classes of FKBP12 ligands, we herein wish to report a new class of FKBP12 ligands containing aza-proline and aza-pipecolic acid analogues. Details of the synthetic studies, together with biological activity will be presented. (C) 2003 Elsevier Ltd. All rights reserved.