3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide | 1334419-63-4

• 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: 3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
• CAS: 1334419-63-4
• 化学式: C₂₉H₂₃F₃N₆O₂
• 分子量: 544.536
• InChiKey: MINSJXAFQKMCOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-溴-1H-吲唑-3-胺 在 吡啶 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 水 、 sodium carbonate 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 、 二甲基亚砜 为溶剂， 生成 3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
  参考文献：
  名称：

  An amino-indazole scaffold with spectrum selective kinase inhibition of FLT3, PDGFRα and kit

  摘要：

  Here we describe the synthesis and characterization of a number of 3-amino-1H-indazol-6-yl-benzamides that were designed to target the 'DFG-out' conformation of the kinase activation loop. Several compounds such as 4 and 11 exhibit single-digit nanomolar EC(50)s against FLT3, c-Kit and the gatekeeper T674M mutant of PDGFR alpha. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.05.107

文献信息

• INDAZOLE COMPOUNDS AND THEIR USES
  申请人：Gray Nathanael

  公开号：US20130184287A1

  公开（公告）日：2013-07-18

  The present application relates to therapeutic organic compounds, compositions comprising an effective amount of a therapeutic organic compound; and methods for treating and preventing disease comprising administering and effective amount of a therapeutic organic compound to a subject in need thereof.

  本申请涉及治疗有机化合物、包含有效量治疗有机化合物的组合物以及治疗和预防疾病的方法，其中将有效量的治疗有机化合物给予需要治疗的受试者。
• US8987275B2
  申请人：——

  公开号：US8987275B2

  公开（公告）日：2015-03-24
• [EN] INDAZOLE COMPOUNDS AND THEIR USES<br/>[FR] COMPOSÉS D'INDAZOLE ET LEURS UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2011115725A2

  公开（公告）日：2011-09-22

  The present application relates to therapeutic organic compounds, compositions comprising an effective amount of a therapeutic organic compound; and methods for treating and preventing disease comprising administering and effective amount of a therapeutic organic compound to a subject in need thereof.
• An amino-indazole scaffold with spectrum selective kinase inhibition of FLT3, PDGFRα and kit
  作者：Xianming Deng、Wenjun Zhou、Ellen Weisberg、Jinhua Wang、Jianming Zhang、Takaaki Sasaki、Erik Nelson、James D. Griffin、Pasi A. Jänne、Nathanael S. Gray

  DOI：10.1016/j.bmcl.2012.05.107

  日期：2012.7

  Here we describe the synthesis and characterization of a number of 3-amino-1H-indazol-6-yl-benzamides that were designed to target the 'DFG-out' conformation of the kinase activation loop. Several compounds such as 4 and 11 exhibit single-digit nanomolar EC(50)s against FLT3, c-Kit and the gatekeeper T674M mutant of PDGFR alpha. (C) 2012 Published by Elsevier Ltd.