6-(2,3-epoxy)propoxy-3,4-dihydro-3-oxo-2H(1,4)benzothiazine | 91375-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 6-(2,3-epoxy)propoxy-3,4-dihydro-3-oxo-2H(1,4)benzothiazine
• 英文别名: 6-(oxiran-2-ylmethoxy)-4H-1,4-benzothiazin-3-one
• CAS: 91375-77-8
• 化学式: C₁₁H₁₁NO₃S
• 分子量: 237.279
• InChiKey: WXPZPSCEPYETLG-UHFFFAOYSA-N

物化性质

• 沸点：
  468.1±45.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  76.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(2,3-epoxy)propoxy-3,4-dihydro-3-oxo-2H(1,4)benzothiazine 以 丙酮 为溶剂， 反应 2.0h， 生成 6-<3-(3,4-dimethoxyphenyl)ethylamino-2-hydroxy>propoxy-3,4-dihydro-3-oxo-2H(1,4)benzothiazine fumarate
  参考文献：
  名称：

  Cecchetti; Fravolini; Fringuelli, Farmaco, Edizione Scientifica, 1987, vol. 42, # 1, p. 61 - 75

  摘要：

  DOI：
• 作为产物：
  描述：

  6-氨基-2H-1,4-苯并噻嗪-3(4H)-酮 在 sodium hydroxide 、 硫酸 、 sodium nitrite 作用下， 以 甲醇 、 水 、 溶剂黄146 为溶剂， 反应 25.0h， 生成 6-(2,3-epoxy)propoxy-3,4-dihydro-3-oxo-2H(1,4)benzothiazine
  参考文献：
  名称：

  Cecchetti; Fravolini; Fringuelli, Farmaco, Edizione Scientifica, 1987, vol. 42, # 1, p. 61 - 75

  摘要：

  DOI：

文献信息

• (1,4-Benzothiazinyloxy)alkylpiperazine derivatives as potential antihypertensive agents
  作者：Violetta Cecchetti、Fausto Schiaffella、Oriana Tabarrini、Arnaldo Fravolini

  DOI：10.1016/s0960-894x(00)00016-0

  日期：2000.3

  A series of compounds having a piperazine moiety variously linked to the benzothiazine nucleus were synthesized and evaluated for their in vitro alpha-adrenoceptor affinity by radioligand receptor binding assays. Some compounds bearing a oxyalkyl-(2-methoxyphenyl)piperazine side chain were good alpha1-adrenoreceptor ligands.

  合成了具有与苯并噻嗪核不同地连接的哌嗪部分的一系列化合物，并通过放射性配体受体结合测定评估了它们的体外α-肾上腺素受体亲和力。一些带有氧烷基-（2-甲氧基苯基）哌嗪侧链的化合物是良好的α1-肾上腺素受体配体。
• Symbiotic approach to drug design: N-[(4-chloro-3-sulfamoylbenzamido)-ethyl]propanolamine derivatives as β-adrenergic blocking agents with diuretic activity
  作者：V Cecchetti、F Schiaffella、O Tabarrini、W Zhou、A Fravolini、A Goi、G Bruni、G Segre

  DOI：10.1016/0223-5234(91)90098-8

  日期：1991.6

  A series of oxypropanolamines and iminoxypropanolamines, in which the aminic substituent was the 2-(4-chloro-3-sulfamoylbenzamido)-ethyl group, were synthesized as potential beta-blocker/diuretic agents. All of these compounds were tested for beta-1-adrenoceptor affinity and beta-blocking potency. For the most active compounds, diuretic and antihypertensive properties as well as affinity for alpha-1-adrenoceptors were also investigated. Compounds 4 and 10 were found to display contemporaneously beta-blocking, diuretic and antihypertensive activities.
• Cecchetti; Fravolini; Fringuelli, Farmaco, Edizione Scientifica, 1987, vol. 42, # 1, p. 61 - 75
  作者：Cecchetti、Fravolini、Fringuelli、Schiaffella、Mascellani、Pagella、Rugarli

  DOI：——

  日期：——