2-(4-amino-1H-pyrazol-1-yl)acetic acid | 1006348-46-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(4-amino-1H-pyrazol-1-yl)acetic acid
• 英文别名: 2-(4-aminopyrazol-1-yl)acetic acid
• CAS: 1006348-46-4
• 化学式: C₅H₇N₃O₂
• mdl: MFCD04969594
• 分子量: 141.129
• InChiKey: ARGNGTFXKVEQNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-amino-1H-pyrazol-1-yl)acetic acid 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 水 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 2.0h， 生成 2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
  参考文献：
  名称：

  Discovery of AZD2932, a new Quinazoline Ether Inhibitor with high affinity for VEGFR-2 and PDGFR tyrosine kinases

  摘要：

  A new series of Quinazoline Ether Inhibitor which potently inhibits VEGFR-2 and PDGFR tyrosine kinases is described here. In vitro, pharmacokinetics and in vivo evaluations led to the selection of AZD2932. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.019

文献信息

• [EN] FLT3 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE FLT3 ET LEURS UTILISATIONS
  申请人：NIMBUS IRIS INC

  公开号：WO2014194242A3

  公开（公告）日：2015-10-29
• Pyrazole diaminopyrimidines as dual inhibitors of KDR and Aurora B kinases
  作者：Michael L. Curtin、H. Robin Heyman、Robin R. Frey、Patrick A. Marcotte、Keith B. Glaser、James R. Jankowski、Terrance J. Magoc、Daniel H. Albert、Amanda M. Olson、David R. Reuter、Jennifer J. Bouska、Debra A. Montgomery、Joann P. Palma、Cherrie K. Donawho、Kent D. Stewart、Chris Tse、Michael R. Michaelides

  DOI：10.1016/j.bmcl.2012.05.067

  日期：2012.7

  In an effort to identify kinase inhibitors with dual KDR/Aurora B activity and improved aqueous solubility compared to the Abbott dual inhibitor ABT-348, a series of novel pyrazole pyrimidines structurally related to kinase inhibitor AS703569 were prepared. SAR work provided analogs with significant cellular activity, measureable aqueous solubility and moderate antitumor activity in a mouse tumor model after weekly ip dosing. Unfortunately these compounds were pan-kinase inhibitors that suffered from narrow therapeutic indices which prohibited their use as antitumor agents. (C) 2012 Elsevier Ltd. All rights reserved.
• Discovery of AZD2932, a new Quinazoline Ether Inhibitor with high affinity for VEGFR-2 and PDGFR tyrosine kinases
  作者：Patrick A. Plé、Frédéric Jung、Sue Ashton、Laurent Hennequin、Romuald Laine、Rémy Morgentin、Georges Pasquet、Sian Taylor

  DOI：10.1016/j.bmcl.2011.11.019

  日期：2012.1

  A new series of Quinazoline Ether Inhibitor which potently inhibits VEGFR-2 and PDGFR tyrosine kinases is described here. In vitro, pharmacokinetics and in vivo evaluations led to the selection of AZD2932. (C) 2011 Elsevier Ltd. All rights reserved.