8-<(2,3-epoxypropoxy)imino>-3,4,5,6,7,8-hexahydro-5-oxo-2H-1,4-benzothiazine | 127630-43-7

• 分子结构分类: 有机化合物
• 英文名称: 8-<(2,3-epoxypropoxy)imino>-3,4,5,6,7,8-hexahydro-5-oxo-2H-1,4-benzothiazine
• 英文别名: 8-[(2,3-epoxypropoxy)imino]-3,4,5,6,7,8-hexahydro-5-oxo-2H-1,4-benzothiazine
• CAS: 127630-43-7
• 化学式: C₁₁H₁₄N₂O₃S
• 分子量: 254.31
• InChiKey: CKRUOIYCTFHRGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.02
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  63.22
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  仲丁胺 、 8-<(2,3-epoxypropoxy)imino>-3,4,5,6,7,8-hexahydro-5-oxo-2H-1,4-benzothiazine 以 乙醇 为溶剂， 以68%的产率得到6,7-Dihydro-4H,5H-benzo[1,4]thiazine-3,8-dione 8-[O-(3-sec-butylamino-2-hydroxy-propyl)-oxime]
  参考文献：
  名称：

  Synthesis and β-adrenergic blocking activity of 1,4-benzothiazine oxime ethers

  摘要：

  DOI：

  10.1016/0223-5234(89)90051-2
• 作为产物：
  描述：

  3,4,5,6,7,8-hexahydro-3,8-dioxo-2H-1,4-benzothiazine 在 盐酸羟胺 、 sodium hydride 作用下， 以 吡啶 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 8-<(2,3-epoxypropoxy)imino>-3,4,5,6,7,8-hexahydro-5-oxo-2H-1,4-benzothiazine
  参考文献：
  名称：

  Synthesis and β-adrenergic blocking activity of 1,4-benzothiazine oxime ethers

  摘要：

  DOI：

  10.1016/0223-5234(89)90051-2

文献信息

• 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.