6-chloro-4-methylsulphinyl-2,3,4,5-tetrahydro-1,4-benzothiazepine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 6-chloro-4-methylsulphinyl-2,3,4,5-tetrahydro-1,4-benzothiazepine
• 英文别名: 6-chloro-4-methylsulfinyl-3,5-dihydro-2H-1,4-benzothiazepine
• 化学式: C₁₀H₁₂ClNOS₂
• 分子量: 261.796
• InChiKey: DPMRVEKZRBXCIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  64.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-chloro-2,3,4,5-tetrahydro-1,4-benzothiazepine 、 甲烷亚磺酰氯化物 在 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 6-chloro-4-methylsulphinyl-2,3,4,5-tetrahydro-1,4-benzothiazepine
  参考文献：
  名称：

  Therapeutic 1,4-thiazepines

  摘要：

  化合物的结构式I为##STR1##其中n=0、1或2；R.sub.1、R.sub.2、R.sub.6和R.sub.7独立地代表H或烷基（可以选择地被一个或多个卤素取代）；R.sub.3和R.sub.4独立地代表H或烷基，或者一起代表一个结构式为.dbd.NR.sub.12的基团，其中R.sub.12代表H、羟基、烷基、苯基或烷氧基；每个烷基、苯基和烷氧基可以选择地被一个或多个卤素取代；R.sub.5代表：(a) H，(b) 烷基，(c) 一个结构式为--COR.sub.13的基团，其中R.sub.13为H、烷基或苯基，当R.sub.3和R.sub.4代表H或烷基（可以选择地被一个或多个卤素取代）时，或者(d) 一个结构式为--S(O).sub.pR.sub.14的基团，其中p=1或2，R.sub.14为烷基或苯基，当R.sub.3和R.sub.4代表H或烷基（可以选择地被一个或多个卤素取代）时；每个烷基和苯基可以选择地被一个或多个卤素取代；而R.sub.8到R.sub.11独立地代表H、卤素、氰基、硝基、烷基烷氧基、烷酰基、羧基、烷酰氧基、氨基（可以选择地被烷基取代）或磺酰胺基（可以选择地被1到4个碳原子的烷基取代）；每个烷基、烷氧基、烷酰基或烷酰氧基可以选择地被一个或多个卤素取代；这些化合物在治疗癫痫和/或神经系统疾病如癫痫病的治疗中具有用途，并且作为神经保护剂用于预防中风等疾病。

  公开号：

  US05580866A1

文献信息

• 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS
  申请人：The Boots Company PLC

  公开号：EP0667866A1

  公开（公告）日：1995-08-23
• 1,4-BENZOTHIAZEPINES TO TREAT OBESITY RELATED DISORDERS
  申请人：Knoll GmbH

  公开号：EP1218010A2

  公开（公告）日：2002-07-03
• US5580866A
  申请人：——

  公开号：US5580866A

  公开（公告）日：1996-12-03
• [EN] 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS<br/>[FR] 1,4-BENZOTHIAZEPINES UTILISEES COMME AGENTS NEUROLOGIQUES
  申请人：THE BOOTS COMPANY PLC

  公开号：WO1994011360A1

  公开（公告）日：1994-05-26

  (EN) Compounds of formula (I) in which n = 0, 1 or 2; R1, R2, R6 and R7 independently represent H or alkyl (optionally substituted by one or more halo); R3 and R4 independently represent H or alkyl or together represent a group of formula = NR12 where R12 represents H, hydroxy, alkyl, phenyl or alkoxy; each alkyl, phenyl and alkoxy being optionally substituted with one or more halo; R5 represents: (a) H, (b) alkyl, (c) a group of formula -COR13 in which R13 is H, alkyl or phenyl, when R3 and R4 represent H or alkyl (optionally substituted with one or more halo), or (d) a group of formula -S(O)pR14 in which p = 1 or 2 and R14 is alkyl or phenyl, when R3 and R4 represent H or alkyl (optionally substituted with one or more halo); each alkyl and phenyl optionally substituted with one or more halo; and R8 to R11 independently represent H, halo, cyano, nitro, alkyl alkoxy, alkanoyl, carboxy, alkanoyloxy, carbamoyl (optionally substituted with alkyl) or sulphamoyl (optionally substituted with alkyl of 1 to 4 carbon atoms); each alkyl, alkoxy, alkanoyl or alkanoyloxy optionally substituted with one or more halo; have utility in the treatment of seizures and/or neurological disorders such as epilepsy and/or as neuroprotective agents to protect against conditions such as stroke.(FR) Composés de la formule (I), dans laquelle n = 0, 1 ou 2; R1, R2, R6 et R7 représentent indépendamment H ou un alkyle (facultativement substitué par un ou plusieurs halo); R3 et R4 représente indépendamment H ou un alkyle ou, ensemble, un groupe de la formule = NR12, dans laquelle R12 représente H, un hydroxy, un alkyle, un phényle ou un alcoxy; chaque aryle, phényle ou alcoxy pouvant être facultativement substitué par un ou plusieurs halo; R5 représente: (a) H, (b) un alkyle, (c) un groupe de la formule -COR13, dans laquelle R13 est H, un alkyle ou un phényle, lorsque R3 et R4 représentent H ou un alkyle (facultativement substitué par un ou plusieurs halo), ou (d) un groupe de la formule -S(O)pR14 dans laquelle p = 1 ou 2 et R14 est un alkyle ou un phényle, lorsque R3 et R4 représentent H ou un alkyle (facultativement substitué par un ou plusieurs halo); chaque alkyle et chaque phényle pouvant être facultativement substitué par un ou plusieurs halo; et R8 à R11 représentent indépendamment H, halo, cyano, nitro, alkylalcoxy, alcanoyle, carboxy, alcanoyloxy, carbamoyle (facultativement substitué par un alkyle ou un sulfamoyle (facultativement substitué par un alkyle comprenant 1 à 4 atomes de carbones); chaque alkyle, alcoxy, alcanoyle ou alcanoyloxy pouvant être facultativement substitué par un ou plusieurs halo; ces composés sont utiles pour le traitement des attaques et/ou des troubles neurologiques tels que l'épilepsie, et/ou comme agents neuroprotecteurs destinés à la prévention d'états pathologiques tels que l'ictus.
• [EN] THERAPEUTIC AGENTS<br/>[FR] AGENTS THERAPEUTIQUES
  申请人：KNOLL AG

  公开号：WO2001000185A2

  公开（公告）日：2001-01-04

  The present invention provides a method of treating obesity and related conditions such as bulimia, anorexia, snacking, binge eating, non insolin dependent diabetes meltitus, hyperglycaemia, stress, hyperlipidaemia, and to aid to smoking cessation comprising the administration to a mammal, particularly a human, in need thereof of a therapeutically effective amount of a compound of formula (I) in which: n=0, 1 or 2; R1 and R2 independently represent H or alkyl of 1 to 4 carbon atoms (optionally substituted by one or more halo); R3 and R4 independently represent H or alkyl of 1 to 4 carbon atoms; or together represent a group of formula =NR12 where R12 represents H, hydroxy, alkyl of 1 to 4 carbon atoms, a phenyl or alkoxy of 1 to 4 carbon atoms; each alkyl, phenyl and alkoxy being optionally substituted with one or more halo; R5 represents: (a) H, (b) alkyl of 1 to 4 carbon atoms, (c) a group of formula-COR13 in which R13 represents H, alkyl of 1 to 4 carbon atoms or phenyl, when R3 and R4 represent H or alkyl (optionally substituted with one or more halo, or (d) or a group of formula -S(O)pR14 in which p=1 or 2 and R14 is alkyl of 1 to 4 carbon atoms or phenyl, when R3 and R4 represent H or alkyl (optionally substituted with one or more halo); each alkyl and phenyl being optionally substituted with one or more halo; R6 and R7 are each H; R8 to R11 independently represent H, halo, cyano, nitro, alkyl of 1 to 4 carbon atoms, alkoxy of 1 to 4 carbon atoms, alkanoyl of 1 to 4 carbon atoms, carboxy, alkanoyloxy of 1 to 4 carbon atoms, carbamoyl (optionally substituted with alkyl of 1 to 4 carbon atoms), or sulphamoyl (optionally substituted with alkyl of 1 to 4 carbon atoms); each alkyl, alkoxy, alkanoyl or alkanoyloxy optionally substituted with one or more halo; their stereoisomers; and pharmaceutically acceptable salts thereof.