5-Chloro-2-methyl-4-methylaminopyridazin-3(2H)-one | 98795-96-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-Chloro-2-methyl-4-methylaminopyridazin-3(2H)-one
• 英文别名: 5-chloro-2-methyl-4-methylamino-2H-pyridazin-3-one；5-Chloro-2-methyl-4-(methylamino)-2,3-dihydropyridazin-3-one；5-chloro-2-methyl-4-(methylamino)pyridazin-3-one
• CAS: 98795-96-1
• 化学式: C₆H₈ClN₃O
• 分子量: 173.602
• InChiKey: DNEDKTUDZMNRRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-ethoxy-phenyl)-dithiocarbamic acid methyl ester 、 5-Chloro-2-methyl-4-methylaminopyridazin-3(2H)-one 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 48.0h， 以48%的产率得到2-[(E)-4-Ethoxy-phenylimino]-3,5-dimethyl-3,5-dihydro-2H-thiazolo[4,5-d]pyridazin-4-one
  参考文献：
  名称：

  Yamasaki, Tetsuo; Kawaminami, Eiji; Uchimura, Fumi, Journal of Heterocyclic Chemistry, 1991, vol. 28, # 4, p. 859 - 865

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-二氯-2-甲基哒嗪-3-酮 、 甲胺 生成 5-Chloro-2-methyl-4-methylaminopyridazin-3(2H)-one
  参考文献：
  名称：

  KONECNY, V.;KOVAC, S.

  摘要：

  DOI：

文献信息

• Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe
  作者：Philip G. Humphreys、Paul Bamborough、Chun-wa Chung、Peter D. Craggs、Laurie Gordon、Paola Grandi、Thomas G. Hayhow、Jameed Hussain、Katherine L. Jones、Matthew Lindon、Anne-Marie Michon、Jessica F. Renaux、Colin J. Suckling、David F. Tough、Rab K. Prinjha

  DOI：10.1021/acs.jmedchem.6b01566

  日期：2017.1.26

  p300/CREB binding pi-otein associated factor (PCAF/KAT2B) and general control nonderepressible 5 (GCNS/KAT2A) are multidomain proteins that have been implicated in retroviral infection, inflammation pathways, and cancer development. However, outside of viral replication, little is known about the dependence of these effects on the C-terminal bromodomain. Herein, we report GSK4027 as a chemical probe for the PCAF/GCN5 bromodomain, together with GSK4028 as an enantiomeric negative control. The probe was optimized from a weakly potent, nonselective p-yridazinone hit to deliver high potency for the PCAF/GCNS bromodomain, high solubility, cellular target engagement, and >= 18000-fold selectivity over the BET family, together with >= 70-fold selectivity over the wider bromodomain families.
• Konecny, Vaclav; Kovac, Stefan; Varkonda, Stefan, Collection of Czechoslovak Chemical Communications, 1985, vol. 50, # 2, p. 492 - 502
  作者：Konecny, Vaclav、Kovac, Stefan、Varkonda, Stefan

  DOI：——

  日期：——
• KONECNY, V.;KOVAC, S.
  作者：KONECNY, V.、KOVAC, S.

  DOI：——

  日期：——
• KONECNY, V.;KOVAC, S.;VARKONDA, S., COLLECT. CZECHOSL. CHEM. COMMUN., 1985, 50, N 2, 492-502
  作者：KONECNY, V.、KOVAC, S.、VARKONDA, S.

  DOI：——

  日期：——
• PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP0717734B1

  公开（公告）日：1998-11-18