5-Tert-butyl-2-[(4-methylphenyl)methyl]pyrazol-3-amine | 1153809-40-5

• 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: 5-Tert-butyl-2-[(4-methylphenyl)methyl]pyrazol-3-amine
• CAS: 1153809-40-5
• 化学式: C₁₅H₂₁N₃
• mdl: MFCD12414882
• 分子量: 243.352
• InChiKey: LCZOMVSHYUGRKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4R,5R)-5-{(S)-1-tert-butoxycarbonyl-2-[4-(2,6-dichlorobenzyloxy)phenyl]ethylcarbamoyl}-[1,3]dioxolane-4-carboxylic acid 、 5-Tert-butyl-2-[(4-methylphenyl)methyl]pyrazol-3-amine 在 N-甲基吗啉 、 氯甲酸乙酯 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and biological activity of N-substituted aminocarbonyl-1,3-dioxolanes as VLA-4 antagonists

  摘要：

  A novel set of compounds with a 1,3-dioxolane ring which acts as a proline bioisostere have been successfully designed as VLA-4 receptor antagonists. Compounds (18e), (28j), and (35g) were shown to have high receptor affinities. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.069

文献信息

• Synthesis and biological activity of N-substituted aminocarbonyl-1,3-dioxolanes as VLA-4 antagonists
  作者：Abdul Rehman、Ajay Soni、Keshav Naik、Sreeji Nair、Venkata P. Palle、Sunanda Dastidar、Abhijit Ray、M.S. Alam、Mohammad Salman、Ian A. Cliffe、Viswajanani Sattigeri

  DOI：10.1016/j.bmcl.2010.07.069

  日期：2010.9

  A novel set of compounds with a 1,3-dioxolane ring which acts as a proline bioisostere have been successfully designed as VLA-4 receptor antagonists. Compounds (18e), (28j), and (35g) were shown to have high receptor affinities. (C) 2010 Elsevier Ltd. All rights reserved.