2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-1-(11-methyl-10,10-dioxo-10,11-dihydro-10λ⁶-thia-5,11-diaza-dibenzo[a,d]cyclohepten-5-yl)-ethanone | 132749-95-2

• 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: 2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-1-(11-methyl-10,10-dioxo-10,11-dihydro-10λ⁶-thia-5,11-diaza-dibenzo[a,d]cyclohepten-5-yl)-ethanone
• 英文别名: 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone
• CAS: 132749-95-2
• 化学式: C₂₁H₂₆N₄O₄S
• 分子量: 430.528
• InChiKey: AOWXEELBADFMHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  92.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-Methyl-dibenzo-1,2,5-thiadiazepin-5,5-dioxyd 以 丙酮 为溶剂， 反应 4.0h， 生成 2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-1-(11-methyl-10,10-dioxo-10,11-dihydro-10λ⁶-thia-5,11-diaza-dibenzo[a,d]cyclohepten-5-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：——
• New dibenzothiadiazepine derivatives with antidepressant activities
  作者：Danilo Giannotti、Giovanni Viti、Piero Sbraci、Vittorio Pestellini、Giovanna Volterra、Franco Borsini、Alessandro Lecci、Alberto Meli、Paolo Dapporto、Paola Paoli

  DOI：10.1021/jm00108a018

  日期：1991.4

  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.