2-chloro-1-(2,6-dimethyl-5,5-dioxobenzo[c][2,1,5]benzothiadiazepin-11-yl)ethanone | 132749-91-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2-chloro-1-(2,6-dimethyl-5,5-dioxobenzo[c][2,1,5]benzothiadiazepin-11-yl)ethanone
• CAS: 132749-91-8
• 化学式: C₁₆H₁₅ClN₂O₃S
• 分子量: 350.826
• InChiKey: HYTIXGNEYFYZBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.04
• 重原子数：
  23.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  57.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-chloro-1-(2,6-dimethyl-5,5-dioxobenzo[c][2,1,5]benzothiadiazepin-11-yl)ethanone 、 二甲胺 以 丙酮 为溶剂， 反应 48.0h， 以74%的产率得到2-(Dimethylamino)-1-(2,6-dimethyl-5,5-dioxobenzo[c][2,1,5]benzothiadiazepin-11-yl)ethanone
  参考文献：
  名称：

  New dibenzothiadiazepine derivatives with antidepressant activities

  摘要：

  A new series of 11-[(aminoalkyl)carbonyl] derivatives of 6,11-dihydrodibenzo[c,f][1,2,5]thiadiazepine 5,5-dioxide (10-39) were synthesized and evaluated for potential antidepressant activity in the apomorphine-induced hypothermia (Apo 16) test. Effects on reserpine-induced hypothermia and toxicity for the most potent antagonists of Apo 16 hypothermia were also studied. Structure-activity relationships are reported. Anticholinergic effects were evaluated for compound 12, identified as the most potent and least toxic in this series, by assessing physostigmine lethality. Compound 12 was also subjected to X-ray analysis.

  DOI：

  10.1021/jm00108a018
• 作为产物：
  描述：

  N-(2-bromophenyl)-4-methyl-2-nitrobenzenesulfonamide 在 sodium methylate 、 铁粉 、 铜 、 potassium carbonate 、 溶剂黄146 、 copper(I) bromide 作用下， 以 双氧水 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.0h， 生成 2-chloro-1-(2,6-dimethyl-5,5-dioxobenzo[c][2,1,5]benzothiadiazepin-11-yl)ethanone
  参考文献：
  名称：

  New dibenzothiadiazepine derivatives with antidepressant activities

  摘要：

  A new series of 11-[(aminoalkyl)carbonyl] derivatives of 6,11-dihydrodibenzo[c,f][1,2,5]thiadiazepine 5,5-dioxide (10-39) were synthesized and evaluated for potential antidepressant activity in the apomorphine-induced hypothermia (Apo 16) test. Effects on reserpine-induced hypothermia and toxicity for the most potent antagonists of Apo 16 hypothermia were also studied. Structure-activity relationships are reported. Anticholinergic effects were evaluated for compound 12, identified as the most potent and least toxic in this series, by assessing physostigmine lethality. Compound 12 was also subjected to X-ray analysis.

  DOI：

  10.1021/jm00108a018

文献信息

• GIANNOTTI, DANILO;VITI, GIOVANNI;SBRACI, PIERO;PESTELLINI, VITTORIO;VOLTE+, J. MED. CHEM., 34,(1991) N, C. 1356-1362
  作者：GIANNOTTI, DANILO、VITI, GIOVANNI、SBRACI, PIERO、PESTELLINI, VITTORIO、VOLTE+

  DOI：——

  日期：——