1-(3-甲氧基苄基)-1H-吲唑-5-胺 | 930606-51-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 1-(3-甲氧基苄基)-1H-吲唑-5-胺
• 英文名称: 1-(3-methoxybenzyl)-1H-indazole-5-amine
• 英文别名: 1-(3-Methoxybenzyl)-1H-indazol-5-amine；1-[(3-methoxyphenyl)methyl]indazol-5-amine
• CAS: 930606-51-2
• 化学式: C₁₅H₁₅N₃O
• 分子量: 253.304
• InChiKey: BPCQREDSYOPLAP-UHFFFAOYSA-N

物化性质

• 沸点：
  475.3±30.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  53.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(3-甲氧基苄基)-1H-吲唑-5-胺 、 4-氨基-6-氯-5-醛基嘧啶 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 4-Amino-6-[[1-[(3-methoxyphenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carbaldehyde
  参考文献：
  名称：

  Discovery of novel 4-amino-6-arylaminopyrimidine-5-carbaldehyde oximes as dual inhibitors of EGFR and ErbB-2 protein tyrosine kinases

  摘要：

  We herein disclose a novel series of 4-aminopyrimidine-5-carbaldehyde oximes that are potent and selective inhibitors of both EGFR and ErbB-2 tyrosine kinases, with IC50 values in the nanomolar range. Structure-activity relationship (SAR) studies elucidated a critical role for the 4-amino and C-6 arylamino moieties. The X-ray co-crystal structure of EGFR with 37 was determined and validated our design rationale. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.024

文献信息

• 4-(1H-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：Bradbury Robert Hugh

  公开号：US20090048251A1

  公开（公告）日：2009-02-19

  A quinazoline derivative of the Formula I: wherein the substituents are as defined in the text for use in the production of an anti-proliferative effect which effect is produced alone or in part by inhibiting erbB2 receptor tyrosine kinase in a warm-blooded animal such as man.

  一种公式I的喹唑啉衍生物：其中取代基如文本中所定义，用于生产抗增殖效应，该效应在温血动物（如人）中单独或部分地通过抑制erbB2受体酪氨酸激酶而产生。
• 4-(1H-indazol-5-yl-amino)-quinazoline compounds as erbB receptor tyrosine kinase inhibitors for the treatment of cancer
  申请人：AstraZeneca AB

  公开号：US07820683B2

  公开（公告）日：2010-10-26

  A quinazoline derivative of the Formula I: wherein the substituents are as defined in the text for use in the production of an anti-proliferative effect which effect is produced alone or in part by inhibiting erbB2 receptor tyrosine kinase in a warm-blooded animal such as man.

  一种Formula I中的喹唑啉衍生物：其中取代基如文本中定义，用于制备抗增殖效应，该效应在温血动物，例如人体内产生，该效应单独或部分通过抑制erbB2受体酪氨酸激酶产生。
• 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：AstraZeneca AB

  公开号：EP1928861A1

  公开（公告）日：2008-06-11
• 4- (IH-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：AstraZeneca AB

  公开号：EP1928861B1

  公开（公告）日：2010-11-17
• US7820683B2
  申请人：——

  公开号：US7820683B2

  公开（公告）日：2010-10-26