OK-1035

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: OK-1035
• 英文别名: 6-[(E)-Hydrazinylidenemethyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
• 化学式: C₁₂H₉N₅O
• 分子量: 239.236
• InChiKey: KJRKRHGTENMKAI-FRKPEAEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-[hydroxy(methoxy)methyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile;hydrochloride 生成 OK-1035
  参考文献：
  名称：

  NAKAGAVA, SUSUMU;FUKATSU, XIROSI;ANDO, MAMORU;FUDZITA, MITIKO

  摘要：

  DOI：

文献信息

• Synthesis, crystal structure determination, and biological properties of the DNA-dependent protein kinase (DNA-PK) inhibitor 3-cyano-6-hydrazonomethyl-5-(4-pyridyl)pyrid-[1H]-2-one (OK-1035)
  作者：Martin Stockley、William Clegg、Gabriele Fontana、Bernard T Golding、Niall Martin、Laurent J.M Rigoreau、Graeme C.M Smith、Roger J Griffin

  DOI：10.1016/s0960-894x(01)00537-6

  日期：2001.11

  The first reported synthesis of the DNA-PK inhibitor 3-cyano-6-hydrazonomethyl-5-(4-pyridyl)pyrid-[1H]-2-one (OK-1035) is described. The structure of OK-1035 was validated by X-ray crystallography. An IC50 value of 100 muM was determined for inhibition of DNA-PK, and this is approximately 12-fold higher than that reported previously. (C) 2001 Elsevier Science Ltd. All rights reserved.
• DNA-PKCS MODULATES ENERGY REGULATION AND BRAIN FUNCTION
  申请人：Chung Jay Hang

  公开号：US20100130597A1

  公开（公告）日：2010-05-27

  The invention relates to new functions of the DNA-PKcs gene product in energy metabolism, brain function and physical fitness.