3-Chloro-6-methyl-6, 11-dihydro-11-chloroacetyl-dibenzo[c,f][1, 2, 5] thiadiazepine 5,5-dioxide | 128378-03-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 3-Chloro-6-methyl-6, 11-dihydro-11-chloroacetyl-dibenzo[c,f][1, 2, 5] thiadiazepine 5,5-dioxide
• 英文别名: 2-Chloro-1-(3-chloro-6-methyl-5,5-dioxobenzo[c][2,1,5]benzothiadiazepin-11-yl)ethanone
• CAS: 128378-03-0
• 化学式: C₁₅H₁₂Cl₂N₂O₃S
• 分子量: 371.244
• InChiKey: YFUSVVOXFRLOIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Chloro-6-methyl-6, 11-dihydro-11-chloroacetyl-dibenzo[c,f][1, 2, 5] thiadiazepine 5,5-dioxide 、 二甲胺 以 丙酮 为溶剂， 反应 48.0h， 生成 1-(8-Chloro-11-methyl-10,10-dioxo-10,11-dihydro-10λ⁶-thia-5,11-diaza-dibenzo[a,d]cyclohepten-5-yl)-2-dimethylamino-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：

  5-氯-2-硝基苯磺酰氯 在 吡啶 、 sodium methylate 、 铁粉 、 铜 、 potassium carbonate 、 溶剂黄146 、 copper(I) bromide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 37.0h， 生成 3-Chloro-6-methyl-6, 11-dihydro-11-chloroacetyl-dibenzo[c,f][1, 2, 5] thiadiazepine 5,5-dioxide
  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

• Novel derivatives of 6,11-dihydro-dibenzo[c,f][1,2,5]-thiadiazepine 5,5-dioxide, salts thereof and appropriate processes for the preparation thereof
  申请人：A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L.

  公开号：EP0354885A1

  公开（公告）日：1990-02-14

  Novel derivatives of 11-carbonyl-6,11-dihydro-­dibenzo[c,f][1,2,5]thiadiazepine 5,5-dioxide of the general formula wherein R and R₁,      which can be different, represent a hydrogen atom or a (C₁-C₅)alkyl or (C₁-C₄)hydroxyalkyl group, or R and R₁ together can form a 5-­membered and/or 6-membered heterocyclic ring which may contain a further heteroatom, R₂ and R₃,      which can be different, represent a hydrogen atom, a (C₁-C₃)alkoxy, (C₁-C₃)alkyl, nitro, amino or (C₁-C₃)alkylamino,halogen, halogeno-alkyl or hydroxyl group, R₄      represents a hydrogen atom or a (C₁-C₄)alkyl, alkylaryl or (C₁-C₆)alkylamino group, and n      assumes values of 0, 1 or 2, and non-toxic, pharmaceutically acceptable salts, thereof, obtained by addition of acids of alkyl halides.

  11-酮基-6,11-二氢-二苯并[c,f][1,2,5]噻二氮杂环庚烷-5,5-二氧化物的新衍生物，通式如下，其中R和R₁（可以不同），代表氢原子或（C₁-C₅）烷基或（C₁-C₄）羟基烷基基团，或者R和R₁可共同形成含有进一步杂原子的5-或6-成员杂环环，R₂和R₃（可以不同），代表氢原子，（C₁-C₃）烷氧基，（C₁-C₃）烷基，硝基，氨基或（C₁-C₃）烷基氨基，卤素，卤代烷基或羟基基团，R₄代表氢原子或（C₁-C₄）烷基，烷基芳基或（C₁-C₆）烷基氨基基团，n取值为0、1或2，以及由烷基卤化物的酸添加得到的非毒性、药学上可接受的盐。
• 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：——
• US5011833A
  申请人：——

  公开号：US5011833A

  公开（公告）日：1991-04-30