N-(1,4,4-trimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)naphthalene-1-sulfonamide | 1061596-70-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(1,4,4-trimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)naphthalene-1-sulfonamide
• 英文别名: N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)naphthalene-1-sulfonamide
• CAS: 1061596-70-0
• 化学式: C₂₂H₂₂N₂O₃S
• 分子量: 394.494
• InChiKey: HHMSWGFVOLOWOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-氨基-1,4,4-三甲基-3,4-二氢-1H-喹啉-2-酮 、 1-萘磺酰氯 在 吡啶 作用下， 反应 0.5h， 以92%的产率得到N-(1,4,4-trimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)naphthalene-1-sulfonamide
  参考文献：
  名称：

  Synthesis of potential Rho-kinase inhibitors based on the chemistry of an original heterocycle: 4,4-Dimethyl-3,4-dihydro-1H-quinolin-2-one

  摘要：

  A new series of substituted 4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one have been prepared via condensation of 3,3-dimethylacryloyl chloride with aniline. Details of synthetic procedures are shown. Our aim was to investigate the potency of our original heterocycle in the inhibition of the Rho-kinase enzyme, known to be of major importance in the cascade reactions leading to arterial hypertension. Biological activity for the seven compounds has been investigated and is presented. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.11.010

文献信息

• Synthesis of potential Rho-kinase inhibitors based on the chemistry of an original heterocycle: 4,4-Dimethyl-3,4-dihydro-1H-quinolin-2-one
  作者：Marie-Anne Letellier、Jérôme Guillard、Daniel-Henri Caignard、Gilles Ferry、Jean A. Boutin、Marie-Claude Viaud-Massuard

  DOI：10.1016/j.ejmech.2007.11.010

  日期：2008.8

  A new series of substituted 4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one have been prepared via condensation of 3,3-dimethylacryloyl chloride with aniline. Details of synthetic procedures are shown. Our aim was to investigate the potency of our original heterocycle in the inhibition of the Rho-kinase enzyme, known to be of major importance in the cascade reactions leading to arterial hypertension. Biological activity for the seven compounds has been investigated and is presented. (c) 2007 Elsevier Masson SAS. All rights reserved.