(Z)-4-(4-hydroxy-cyclohexylamino)-3-(3-methoxy-1H-pyrrol-2-ylmethylene)-5-nitro-2,3-dihydro-indol-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (Z)-4-(4-hydroxy-cyclohexylamino)-3-(3-methoxy-1H-pyrrol-2-ylmethylene)-5-nitro-2,3-dihydro-indol-2-one
• 化学式: C₂₀H₂₂N₄O₅
• 分子量: 398.418
• InChiKey: BDFKEETVLGSZIY-MVEWZEDYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.14
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  129.52
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  trans-4-Aminocyclohexanol 、 (Z)-4-bromo-1,3-dihydro-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-2H-indol-2-one 在 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 为溶剂， 以45%的产率得到(Z)-4-(4-hydroxy-cyclohexylamino)-3-(3-methoxy-1H-pyrrol-2-ylmethylene)-5-nitro-2,3-dihydro-indol-2-one
  参考文献：
  名称：

  Synthesis of Potent Oxindole CDK2 Inhibitors

  摘要：

  A series of oxindole CDK2 inhibitors was synthesized. These novel analogues have a saturated monosubstituted cyclic moiety at their C-4 position that mimics the ribofuranoside of ATP. This substitution afforded agents with increased potency relative to the parent indolinone and nanomolar range IC50 against the CDK2 enzyme and two cancer cell lines. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00036-1

文献信息

• Synthesis of Potent Oxindole CDK2 Inhibitors
  作者：Apos Dermatakis、Kin-Chun Luk、Wanda DePinto

  DOI：10.1016/s0968-0896(03)00036-1

  日期：2003.4

  A series of oxindole CDK2 inhibitors was synthesized. These novel analogues have a saturated monosubstituted cyclic moiety at their C-4 position that mimics the ribofuranoside of ATP. This substitution afforded agents with increased potency relative to the parent indolinone and nanomolar range IC50 against the CDK2 enzyme and two cancer cell lines. (C) 2003 Elsevier Science Ltd. All rights reserved.