1-(2,6-dichlorophenyl)-3-(methylethyl)-6-({4-[2-(phosphonooxy)ethoxy]phenyl}methyl)-5-hydropyrazolo[5,4-d]pyrimidin-4-one | 784210-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2,6-dichlorophenyl)-3-(methylethyl)-6-({4-[2-(phosphonooxy)ethoxy]phenyl}methyl)-5-hydropyrazolo[5,4-d]pyrimidin-4-one
• 英文别名: 2-[4-[[1-(2,6-dichlorophenyl)-4-oxo-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenoxy]ethyl dihydrogen phosphate
• CAS: 784210-90-8
• 化学式: C₂₃H₂₃Cl₂N₄O₆P
• 分子量: 553.339
• InChiKey: WRTJZIYAMYZALI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  tert-butyl [2-(4-{[1-(2,6-dichlorophenyl)-3-(methylethyl)-4-oxo-5-hydropyrazolo[5,4-d]pyrimidin-6-yl]methyl}phenoxy)ethyl]phosphate 在 水 、 三氟乙酸 作用下， 反应 1.0h， 以99%的产率得到1-(2,6-dichlorophenyl)-3-(methylethyl)-6-({4-[2-(phosphonooxy)ethoxy]phenyl}methyl)-5-hydropyrazolo[5,4-d]pyrimidin-4-one
  参考文献：
  名称：

  [EN] INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO
  [FR] INHIBITEURS DE KINASES DEPENDANT DES CYCLINES, COMPOSITIONS ET UTILISATIONS ASSOCIEES

  摘要：

  公开号：

  WO2004092139A3

文献信息

• Inhibitors of cyclin-dependent kinases, compositions and uses related thereto
  申请人：GPC Biotech, Inc.

  公开号：US20040266854A1

  公开（公告）日：2004-12-30

  The invention pertains to novel cyclin dependent kinase inhibitors (cdks) and specifically, but not exclusively, as inhibitors of cdk/cyclin complexes. As described herein, the inhibitors of this invention are capable of inhibiting the cell-cycle machinery and consequently may be useful in modulating cell-cycle progression, ultimately controlling cell growth and differentiation. Such compounds would be useful for treating subjects having disorders associated with excessive cell proliferation.

  这项发明涉及新型细胞周期依赖性激酶抑制剂（cdks），具体而言，但不仅限于作为cdk/cyclin复合物的抑制剂。如本文所述，本发明的抑制剂能够抑制细胞周期机制，因此可能有助于调节细胞周期进程，最终控制细胞生长和分化。这样的化合物对于治疗患有与过度细胞增殖相关的疾病的患者将会很有用。
• INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO
  申请人：Bockovich Nicholas

  公开号：US20090209530A1

  公开（公告）日：2009-08-20

  The invention pertains to novel cyclin dependent kinase inhibitors (cdks) and specifically, but not exclusively, as inhibitors of cdk/cyclin complexes. As described herein, the inhibitors of this invention are capable of inhibiting the cell-cycle machinery and consequently may be useful in modulating cell-cycle progression, ultimately controlling cell growth and differentiation. Such compounds would be useful for treating subjects having disorders associated with excessive cell proliferation.
• US7605175B2
  申请人：——

  公开号：US7605175B2

  公开（公告）日：2009-10-20
• US7786112B2
  申请人：——

  公开号：US7786112B2

  公开（公告）日：2010-08-31
• US7893057B2
  申请人：——

  公开号：US7893057B2

  公开（公告）日：2011-02-22