N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide

• 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: N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
• 化学式: C₃₂H₂₉N₅O₂
• 分子量: 515.615
• InChiKey: ZPWVHQIPUVAHOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  81.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  吲唑-3-羧酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
  参考文献：
  名称：

  Development of a potent and selective FLT3 kinase inhibitor by systematic expansion of a non-selective fragment-screening hit

  摘要：

  A non-selective inhibitor (1) of FMS-like tyrosine kinase-3 (FLT3) was identified by fragment screening and systematically modified to afford a potent and selective inhibitor 26. We confirmed that 26 inhibited the growth of FLT-3-activated human acute myeloid leukemia cell line MV4-11. Our design strategy enabled rapid development of a novel type of FLT3 inhibitor from the hit fragment in the absence of target-structural information. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.03.006

文献信息

• Development of a potent and selective FLT3 kinase inhibitor by systematic expansion of a non-selective fragment-screening hit
  作者：Hirofumi Nakano、Tsukasa Hasegawa、Riyo Imamura、Nae Saito、Hirotatsu Kojima、Takayoshi Okabe、Tetsuo Nagano

  DOI：10.1016/j.bmcl.2016.03.006

  日期：2016.5

  A non-selective inhibitor (1) of FMS-like tyrosine kinase-3 (FLT3) was identified by fragment screening and systematically modified to afford a potent and selective inhibitor 26. We confirmed that 26 inhibited the growth of FLT-3-activated human acute myeloid leukemia cell line MV4-11. Our design strategy enabled rapid development of a novel type of FLT3 inhibitor from the hit fragment in the absence of target-structural information. (C) 2016 Elsevier Ltd. All rights reserved.