5-nitro-1-(1,3-thiazol-2-ylmethyl)-1H-indazole | 930606-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 5-nitro-1-(1,3-thiazol-2-ylmethyl)-1H-indazole
• 英文别名: 2-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole
• CAS: 930606-44-3
• 化学式: C₁₁H₈N₄O₂S
• 分子量: 260.276
• InChiKey: AWJPQQLJFRJFKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-nitro-1-(1,3-thiazol-2-ylmethyl)-1H-indazole 在 platinum(IV) oxide 氢气 作用下， 以 甲醇 为溶剂， 生成 1-(1,3-thiazol-2-ylmethyl)-1H-indazol-5-amine
  参考文献：
  名称：

  Neutral 5-substituted 4-indazolylaminoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase

  摘要：

  We have identified a new series of C- 5 substituted indazolylaminoquinazolines as potent erbB2 kinase inhibitors. The lead compound 22 showed excellent in vitro potency, good physical properties, acceptable oral pharmacokinetics in rat and dog, and low human in vitro clearance. It showed at least equivalent activity dose for dose compared to lapatinib in various erbB2- or EGFR-driven xenograft models after chronic oral administration. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.035
• 作为产物：
  描述：

  2-氯甲基噻唑 、 5-硝基吲唑 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-nitro-1-(1,3-thiazol-2-ylmethyl)-1H-indazole
  参考文献：
  名称：

  Neutral 5-substituted 4-indazolylaminoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase

  摘要：

  We have identified a new series of C- 5 substituted indazolylaminoquinazolines as potent erbB2 kinase inhibitors. The lead compound 22 showed excellent in vitro potency, good physical properties, acceptable oral pharmacokinetics in rat and dog, and low human in vitro clearance. It showed at least equivalent activity dose for dose compared to lapatinib in various erbB2- or EGFR-driven xenograft models after chronic oral administration. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.035

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- (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
• [EN] 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] COMPOSES DE 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE UTILISES COMME INHIBITEURS DES TYROSINES KINASES ERBB ASSOCIEES AU RECEPTEUR POUR TRAITER LE CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2007034144A1

  公开（公告）日：2007-03-29

  [EN] 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.
  [FR] L'invention concerne un dérivé de quinazoline représenté par la formule (I), dans laquelle les substituants sont tels que définis dans la description. Ce dérivé est destiné à être utilisé dans la production d'un effet antiprolifératif, cet effet étant produit uniquement ou partiellement par l'inhibition des tyrosines kinases erbB2 associées au récepteur chez un animal à sang chaud, notamment un humain.