3-Methyl-6-Bromoacetylbenzothiazolinone | 133044-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3-Methyl-6-Bromoacetylbenzothiazolinone
• 英文别名: 3-Methyl-6-bromoacetylbenzothiazolin-2-one；6-(2-bromoacetyl)-3-methyl-1,3-benzothiazol-2-one
• CAS: 133044-47-0
• 化学式: C₁₀H₈BrNO₂S
• 分子量: 286.149
• InChiKey: ZBYBTDYMXXZGRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Methyl-6-Bromoacetylbenzothiazolinone 在 吡啶 、 甲醇 、 三乙基硅烷 、 potassium carbonate 、 一水合肼 、 三氟乙酸 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 3-methyl-6-[2-(N-methylamino)ethyl)benzothiazolinone
  参考文献：
  名称：

  Diouf, Ousmane; Depreux, Patrick; Lesieur, Daniel, Heterocycles, 1995, vol. 41, # 6, p. 1219 - 1234

  摘要：

  DOI：
• 作为产物：
  描述：

  2-羟基苯并噻唑 在 sodium hydroxide 、 三氯化铝 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3-Methyl-6-Bromoacetylbenzothiazolinone
  参考文献：
  名称：

  Synthesis and evaluation of new 2-piperazinylbenzothiazoles with high 5-HT1A and 5-HT3 affinities

  摘要：

  Original 2-piperazinylbenzothiazole derivatives were synthesized and studied as mixed ligands for serotoninergic 5-HT1A and 5-HT3 receptors. The studied compounds exhibited significant affinities for these two serotoninergic receptor subtypes. The pharmacological profile of these ligands was agonist for 5-HT1A receptors and antagonist for 5-HT3 receptor subsites. Compounds with such a pharmacological profile are of clinical relevance in the treatment of psychotropic diseases (eg, anxiety, depression and schizophrenia). The present paper reports the chemistry and the in vitro pharmacological evaluation of these ligands.

  DOI：

  10.1016/0223-5234(96)88289-4

文献信息

• Benzothiazine and benzothiazole compounds useful as analgesics
  申请人：Adir et Compagnie

  公开号：US05234924A1

  公开（公告）日：1993-08-10

  Compound of general formula (I): ##STR1## where R.sub.1, R.sub.2, R.sub.3, n and X are defined in the description. Medicinal products.

  通式（I）的化合物：##STR1## 其中R.sub.1、R.sub.2、R.sub.3、n和X在描述中有定义。药用产品。
• Synthesis of 2(3H)-benzoxazolone and 2(3H)-benzothiazolone derivatives as potential beta-3-adrenergic receptor ligands (part 2)
  作者：J. F. Delhomel、S. Yous、P. Depreux、D. Lesieur

  DOI：10.1002/jhet.5570380314

  日期：2001.5

  Adrenoceptors beta-3-subtype mediate lipolysis and in the search for potential beta-3-adrenergic receptors agonists for the treatment of obesity, we designed new arylethanolamines (structures 4, 5) and aryloxypropanolamines (structures 6, 7) derived from 2(3H)-benzoxazolone and 2(3H)-benzothiazolone.

  肾上腺素受体β-3-亚型介导脂肪分解，并在寻找潜在的β-3肾上腺素能受体激动剂来治疗肥胖症时，我们设计了由2（3）衍生的新的芳基乙醇胺（结构4、5）和芳氧基丙醇胺（结构6、7）。H）-苯并恶唑酮和2（3 H）-苯并噻唑酮。
• New substituted benzothiazolinones
  申请人：Adir et Compagnie

  公开号：US05084469A1

  公开（公告）日：1992-01-28

  Compounds of general formula (I): ##STR1## in which: R.sub.1 represents a hydrogen atom or a lower alkyl group, and R.sub.2 represents a substituted or unsubstituted alkyl, a phenyl or a substituted or unsubstituted heteroaryl, their enantiomers, diastereoisomers and epimers and their addition salts with a pharmaceutically acceptable base when R.sub.1 represents a hydrogen atom or when R.sub.2 comprises a carboxylic acid group. Medicinal products.

  通式（I）的化合物：##STR1## 其中：R.sub.1代表氢原子或较低的烷基基团，R.sub.2代表取代或未取代的烷基、苯基或取代或未取代的杂环基，它们的对映异构体、顺反异构体和外消旋体以及它们与药用可接受碱的加合物，当R.sub.1代表氢原子或R.sub.2包括羧酸基团时。药物产品。
• (Aryl(alkyl)carbonyl)-heterocyclic compounds, compositions and use
  申请人：Adir et Compagnie

  公开号：US05387586A1

  公开（公告）日：1995-02-07

  The invention relates to a compound selected from those of formula (I): ##STR1## wherein Ar, n, B and A are as defined in the description, to their optical isomers, and to their addition salts there of with a pharmaceutically-acceptable acid or base. Medicinal product which is useful for treating pain and treating or preventing pathologies which require psychotropic agents.

  本发明涉及公式（I）中所选的化合物：##STR1## 其中Ar，n，B和A如描述中所定义的，它们的光学异构体以及它们与药用可接受酸或碱的加成盐。这种药物产品对于治疗疼痛和治疗或预防需要精神药物的病理学非常有用。
• (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the
  申请人：Adir Et Compagnie

  公开号：US05534517A1

  公开（公告）日：1996-07-09

  The invention relates to a compound selected from those of formula (I): ##STR1## wherein Ar, n, B and A are as defined in the description, to their optical isomers, and to their addition salts there of with a pharmaceutically-acceptable acid or base. The compounds are useful for treating or preventing anxiety and depression.

  本发明涉及选择自式(I)的化合物：##STR1## 其中，Ar，n，B和A如描述中所定义，以及它们的光学异构体和它们与药学上可接受的酸或碱的加成盐。这些化合物可用于治疗或预防焦虑和抑郁症。