6-(4-(3,5-dichlorophenyl)piperazin-1-ylsulfonyl)-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one | 1061596-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-(4-(3,5-dichlorophenyl)piperazin-1-ylsulfonyl)-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one
• 英文别名: 6-[4-(3,5-Dichlorophenyl)piperazin-1-yl]sulfonyl-4,4-dimethyl-1,3-dihydroquinolin-2-one
• CAS: 1061596-58-4
• 化学式: C₂₁H₂₃Cl₂N₃O₃S
• 分子量: 468.404
• InChiKey: WTPAWANIMPDINQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride 、 1-(3,5-二氯苯基)哌嗪 在 吡啶 作用下， 以97%的产率得到6-(4-(3,5-dichlorophenyl)piperazin-1-ylsulfonyl)-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one
  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