1,3-Dimethyl-5-oxo-3,4,5,6,7,8-hexahydrocyclopentapyrazolo<3,4-b>pyridine | 91623-45-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: 1,3-Dimethyl-5-oxo-3,4,5,6,7,8-hexahydrocyclopentapyrazolo<3,4-b>pyridine
• 英文别名: 3,5-Dimethyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one；3,5-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3-trien-8-one
• CAS: 91623-45-9
• 化学式: C₁₁H₁₃N₃O
• 分子量: 203.244
• InChiKey: UMYDLZXVCWINKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(1-cyclopenten-1-yl)-1,3-dimethyl-1H-pyrazol-5-amine 以 苯 为溶剂， 反应 3.33h， 生成 1,3-Dimethyl-5-oxo-3,4,5,6,7,8-hexahydrocyclopentapyrazolo<3,4-b>pyridine
  参考文献：
  名称：

  Easy Synthesis of New Ring-Fused Pyridones from Heteroaromatic β-Vinylamines

  摘要：

  DOI：

  10.1055/s-1984-31077

文献信息

• PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS
  申请人：PENNING D. THOMAS

  公开号：US20070249597A1

  公开（公告）日：2007-10-25

  Compounds of Formula (I) inhibit the PARP enzyme and are useful for treating a disease or a disorder associated with PARP. Also disclosed are pharmaceutical compositions comprising compounds of Formula (I), methods of treatment comprising compounds of Formula (I), and methods of inhibiting the PARP enzyme comprising compounds of Formula (I).

  化合物(I)的公式可以抑制PARP酶，并且可用于治疗与PARP相关的疾病或紊乱。此外，还披露了包含化合物(I)的药物组合物，包括化合物(I)的治疗方法，以及包括化合物(I)的抑制PARP酶的方法。
• Pyrazoloquinolones are potent parp inhibitors
  申请人：Abbott Laboratories

  公开号：EP2468748A1

  公开（公告）日：2012-06-27

  Compounds of Formula (I) inhibit the PARP enzyme and are useful for treating a disease or a disorder associated with PARP. Also disclosed are pharmaceutical compositions comprising compounds of Formula (I), methods of treatment comprising compounds of Formula (I), and methods of inhibiting the PARP enzyme comprising compounds of Formula (I).

  式(I)化合物抑制PARP酶，可用于治疗与PARP相关的疾病或紊乱。还公开了包含式（I）化合物的药物组合物、包含式（I）化合物的治疗方法以及包含式（I）化合物的抑制 PARP 酶的方法。
• Identification of ring-fused pyrazolo pyridin-2-ones as novel poly(ADP-ribose)polymerase-1 inhibitors
  作者：Wilna J. Moree、Phyllis Goldman、Anthony J. Demaggio、Erik Christenson、Dan Herendeen、John Eksterowicz、Edward A. Kesicki、David L. McElligott、Graham Beaton

  DOI：10.1016/j.bmcl.2008.07.091

  日期：2008.9

  A novel class of PARP-1 inhibitors was identified containing a non-aromatic heterocycle or carbocycle fused to a pyrazolo pyridin-2-one. Compounds displayed low nanomolar binding activity in the PARP-1 binding assay and submicromolar activity in a cell based chemosensitization assay. (C) 2008 Elsevier Ltd. All rights reserved.
• New pyrazolo(3,4-b)pyridine derivatives and process for producing them
  申请人：GRUPPO LEPETIT S.p.A.

  公开号：EP0104522B1

  公开（公告）日：1991-05-29
• WINTERS, G.;SALA, A.;DE, PAOLI, A.;FERRI, V., SYNTHESIS, BRD, 1984, N 12, 1052-1054
  作者：WINTERS, G.、SALA, A.、DE, PAOLI, A.、FERRI, V.

  DOI：——

  日期：——