6-Methyl-dibenzo-1,2,5-thiadiazepin-5,5-dioxyd | 10398-12-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 6-Methyl-dibenzo-1,2,5-thiadiazepin-5,5-dioxyd
• 英文别名: 6-methyl-6,11-dihydro-dibenzo[c,f][1,2,5]thiadiazepine 5,5-dioxide；6-methyl-11H-benzo[c][1,2,5]benzothiadiazepine 5,5-dioxide
• CAS: 10398-12-6
• 化学式: C₁₃H₁₂N₂O₂S
• 分子量: 260.316
• InChiKey: VMMSAGIMFKGXLB-UHFFFAOYSA-N

物化性质

• 熔点：
  201 °C
• 沸点：
  439.5±38.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Methyl-dibenzo-1,2,5-thiadiazepin-5,5-dioxyd 在 氨 、 sodium hydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.5h， 生成 6-Methyl-6,11-dihydro-11-carbamoyl-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
• 作为产物：
  描述：

  2-Amino-N-(2-bromophenyl)benzenesulfonamide 在 sodium methylate 、 铜 、 potassium carbonate 、 溶剂黄146 、 copper(I) bromide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 6-Methyl-dibenzo-1,2,5-thiadiazepin-5,5-dioxyd
  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

• Heterocyclic compounds
  申请人：Novo Nordisk A/S

  公开号：US05716949A1

  公开（公告）日：1998-02-10

  The present invention relates to novel N-substituted azaheterocyclic carboxylic acids and esters thereof in which a substituted alkyl chain forms part of the N-substituent or salts thereof, to methods for their preparation, to compositions containing them, and to their use for the clinical treatment of painful, hyperalgesic and/or inflammatory conditions in which C-fibers play a pathophysiological role by eliciting neurogenic pain or inflammation.

  本发明涉及新颖的N-取代的杂环羧酸和其酯，其中取代的烷基链构成N-取代基的一部分或其盐，以及它们的制备方法、含有它们的组合物，以及它们用于治疗临床上与C-纤维在诱发神经源性疼痛或炎症中发挥病理生理作用的疼痛、高痛敏和/或炎症条件的用途。
• Novel derivatives of 6,11-dihydro-dibenzo(C,F)(1,2,5)-thiadiazepine
  申请人：A. Menarini Industrie Farmaceutiche Riunite

  公开号：US05011833A1

  公开（公告）日：1991-04-30

  Novel derivatives of 11-carbonyl-6,11-dihydrodibenzo[c,f][1,2,5]thiadiazepine 5,5-dioxide of the general formula ##STR1## wherein R and R.sub.1, which can be different, represent a hydrogen atom or a (C.sub.1 -C.sub.5) alkyl or (C.sub.1 -C.sub.4)hydroxyalkyl group, or R and R.sub.1 together can form a 5-membered and/or 6-membered heterocyclic ring which may contain a further heteroatom, R.sub.2 and R.sub.3, which can be different, represent a hydrogen atom, a (C.sub.1 -C.sub.3)alkoxy, (C.sub.1 -C.sub.3)alkyl, nitro, amino or (C.sub.1 -C.sub.3)alkylamino, halogen, halogeno-alkyl or hydroxyl group, R.sub.4 represents a hydrogen atom or a (C.sub.1 -C.sub.4) alkyl, alkylaryl or (C.sub.1 -C.sub.6)alkylamino group, and n assumes values of 0, 1 or 2, and non-toxic, pharmaceutically acceptable salts thereof, obtained by addition of acids or alkyl halides.

  11-酮基-6,11-二氢二苯并[c,f][1,2,5]噻二唑烷-5,5-二氧化物的新衍生物，其通式为##STR1##其中R和R.sub.1，可以是不同的，代表氢原子或(C.sub.1-C.sub.5)烷基或(C.sub.1-C.sub.4)羟基烷基，或者R和R.sub.1一起可以形成一个含有进一步杂原子的5-元和/或6-元杂环，R.sub.2和R.sub.3，可以是不同的，代表氢原子，(C.sub.1-C.sub.3) 烷氧基，(C.sub.1-C.sub.3) 烷基，硝基，氨基或(C.sub.1-C.sub.3) 烷基氨基，卤素，卤代烷基或羟基，R.sub.4代表氢原子或(C.sub.1-C.sub.4) 烷基，烷基芳基或(C.sub.1-C.sub.6) 烷基氨基，n取0、1或2的值，以及通过酸或烷基卤化物的加成获得的非毒性、药学上可接受的盐。
• 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。
• HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF NEUROGENIC INFLAMMATION
  申请人：NOVO NORDISK A/S

  公开号：EP0869954B1

  公开（公告）日：2001-09-19
• 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：——