5-chloro-3-((4-(4-methyl-1H-imidazol-1-yl)phenoxy)benzylidene)indolin-2-one | 1415609-43-6

• 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: 5-chloro-3-((4-(4-methyl-1H-imidazol-1-yl)phenoxy)benzylidene)indolin-2-one
• 英文别名: 5-chloro-3-[[4-[4-(4-methylimidazol-1-yl)phenoxy]phenyl]methylidene]-1H-indol-2-one
• CAS: 1415609-43-6
• 化学式: C₂₅H₁₈ClN₃O₂
• 分子量: 427.89
• InChiKey: QWDBKQQUJUFCHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.12
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  56.15
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  5-氯氧化吲哚 、 4-(4-(4-methyl-1H-imidazol-1-yl)phenoxy)benzaldehyde 在 哌啶 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以41%的产率得到5-chloro-3-((4-(4-methyl-1H-imidazol-1-yl)phenoxy)benzylidene)indolin-2-one
  参考文献：
  名称：

  Modification of a promiscuous inhibitor shifts the inhibition from γ-secretase to FLT-3

  摘要：

  The inhibition of FLT-3 activity is an interesting target for the treatment of acute myeloid leukemia (AML). The serendipitous identification of FLT-3 inhibitors from a CK1/gamma-secretase programme provided compounds with dual inhibitory activity. We analyzed the structure-activity relationship of these inhibitors and derivatized them to arrive at compounds with reduced impact on gamma-secretase activity and enhanced FLT-3 inhibition. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.016

文献信息

• Modification of a promiscuous inhibitor shifts the inhibition from γ-secretase to FLT-3
  作者：Ghislaine Marlyse Okala Amombo、Thomas Kramer、Fabio Lo Monte、Stefan Göring、Matthias Fach、Steven Smith、Stephanie Kolb、Robert Schubenel、Karlheinz Baumann、Boris Schmidt

  DOI：10.1016/j.bmcl.2012.10.016

  日期：2012.12

  The inhibition of FLT-3 activity is an interesting target for the treatment of acute myeloid leukemia (AML). The serendipitous identification of FLT-3 inhibitors from a CK1/gamma-secretase programme provided compounds with dual inhibitory activity. We analyzed the structure-activity relationship of these inhibitors and derivatized them to arrive at compounds with reduced impact on gamma-secretase activity and enhanced FLT-3 inhibition. (C) 2012 Elsevier Ltd. All rights reserved.