(4-Hydroxy-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-5,7-dimethyl-1,1-dioxo-1,2-dihydro-1λ6-pyrido[3,2-e][1,2]thiazin-3-yl)-phenyl-methanone | 508183-73-1

• 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: (4-Hydroxy-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-5,7-dimethyl-1,1-dioxo-1,2-dihydro-1λ6-pyrido[3,2-e][1,2]thiazin-3-yl)-phenyl-methanone
• CAS: 508183-73-1
• 化学式: C₃₀H₃₄N₄O₅S
• 分子量: 562.69
• InChiKey: UXSCTETWUBHRJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  40.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  103.28
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N-甲基乙二胺 、 (4-Hydroxy-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-5,7-dimethyl-1,1-dioxo-1,2-dihydro-1λ6-pyrido[3,2-e][1,2]thiazin-3-yl)-phenyl-methanone 以 乙醇 为溶剂， 反应 15.0h， 以46%的产率得到(3E)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-dimethyl-3-[[2-(methylamino)ethylamino]-phenylmethylidene]-1,1-dioxopyrido[3,2-e]thiazin-4-one
  参考文献：
  名称：

  Malinka; Karczmarzyk; Kaczmarz, Polish Journal of Chemistry, 2004, vol. 78, # 6, p. 815 - 829

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2-甲氧苯基)哌嗪 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 15.0h， 生成 (4-Hydroxy-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-5,7-dimethyl-1,1-dioxo-1,2-dihydro-1λ6-pyrido[3,2-e][1,2]thiazin-3-yl)-phenyl-methanone
  参考文献：
  名称：

  Preparation of novel derivatives of pyridothiazine-1,1-dioxide and their CNS and antioxidant properties

  摘要：

  Starting from isothiazolopyridine-1,1-dioxide (1), corresponding derivatives of 3-aryl-4-hydroxypyrido[3,2-e]-1,2-thiazine-1,1-dioxide (6) possessing the 3-[4-(substituted-phenyl)piperazinyl]propyl or 3-(4-substituted-piperidinyl)propyl side chain by the nitrogen atom of the thiazine ring were prepared. Under pharmacological central nervous system (CNS) screening in animal models (mice), all of the six pyridothiazines 6 tested exhibited analgesic action as the predominant profile of their activity ('writhing' test 12.5-50 mg/kg). Moreover, the radical scavenging activity against peroxyl radicals of the representative pyridothiazines 6 was evaluated in vitro in water environment and some of them proved to be moderate antioxidants. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01267-3