1H-咪唑-2-羰基硫代羧酸酰胺 | 438554-23-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1H-咪唑-2-羰基硫代羧酸酰胺
• 英文名称: 1H-imidazole-2-carbothioamide
• 英文别名: 1H-Imidazole-2-carbothioic acid amide
• CAS: 438554-23-5
• 化学式: C₄H₅N₃S
• 分子量: 127.17
• InChiKey: JYLLSRXJCBEPFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-溴-1,2-环己二酮 、 1H-咪唑-2-羰基硫代羧酸酰胺 以 乙醇 为溶剂， 反应 15.0h， 以50%的产率得到2-(1H-imidazol-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
  参考文献：
  名称：

  3-溴环己烷-1，2-二酮可作为Hantzsch合成噻唑和相关杂环的有用试剂

  摘要：

  我们描述了使用3-溴环己烷-1，2-二酮（一种空气稳定的通用试剂）用于汉茨噻唑的合成以及其他紧密相关的杂环的合成。

  DOI：

  10.1016/j.tetlet.2011.05.028

文献信息

• Benzimidazole and pyridylimidazole derivatives
  申请人：——

  公开号：US20030069257A1

  公开（公告）日：2003-04-10

  This invention relates to benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds, all of which may be described by of Formula I 1 The invention is particularly related to such compounds that bind with high selectivity and high affinity to the benzodiazepine site of GABA A receptors. This invention also relates to pharmaceutical compositions comprising such compounds and to the use of such compounds in treatment of certain central nervous system (CNS) diseases. Novel processes for preparing compounds of Formula I are disclosed. This invention also relates to the use of benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds of Formula I in combination with one or more other CNS agents to potentiate the effects of the other CNS agents. Additionally this invention relates to the use such compounds as probes for the localization of GABA A receptors in tissue sections.

  这项发明涉及苯并咪唑、吡啶咪唑和相关的双环杂环芳烃化合物，所有这些化合物都可以用公式I描述。该发明特别涉及与GABA受体的苯二氮卓位点具有高选择性和高亲和力结合的化合物。该发明还涉及包含这些化合物的药物组合物，以及将这些化合物用于治疗某些中枢神经系统（CNS）疾病。公式I化合物的新制备方法也已披露。此外，该发明还涉及将苯并咪唑、吡啶咪唑和相关的双环杂环芳烃化合物与一个或多个其他CNS药剂结合以增强其他CNS药剂效果的用途。此外，该发明还涉及将这些化合物用作GABA受体在组织切片中的定位探针的用途。
• [EN] INHIBITORS OF DUAL SPECIFICITY TYROSINE PHOSPHORYLATION REGULATED KINASE 1B<br/>[FR] INHIBITEURS DE LA KINASE 1B RÉGULÉE PAR PHOSPHORYLATION DE TYROSINE À DOUBLE SPÉCIFICITÉ
  申请人：TOLREMO THERAPEUTICS AG

  公开号：WO2021064141A1

  公开（公告）日：2021-04-08

  The present invention relates to compounds of formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, cocrystal, tautomer, racemate, enantiomer, or diastereomer or mixture thereof (I), in particular for use in the treatment, amelioration or prevention of cancer, Alzheimer, Parkinson, Down syndrome, Metabolic syndrome, Diabetes and/or osteoarthritis.

  本发明涉及式(I)的化合物，可选地以药学上可接受的盐、溶剂化合物、共晶、互变异构体、外消旋体、对映体或二对映体或其混合物的形式存在，特别用于治疗、改善或预防癌症、阿尔茨海默病、帕金森病、唐氏综合症、代谢综合征、糖尿病和/或骨关节炎。
• Imidazoles and processes for their production
  申请人：Ciba-Geigy Corporation

  公开号：US03976778A1

  公开（公告）日：1976-08-24

  The present invention relates to processes for the preparation of new imidazoles, especially of 4- or 5-nitro-imidazoles, substituted by tetrahydroimidazoles which may be substituted and to such compounds which are valuable chemotherapeutica in the treatment of gram-negativ bacteria, protozoa and worms.

  本发明涉及制备新咪唑类化合物的方法，特别是4-或5-硝基咪唑类化合物，它们被四氢咪唑类化合物取代，这些四氢咪唑类化合物可以被取代，这些化合物在治疗革兰氏阴性菌、原虫和蠕虫方面具有重要的化学治疗作用。
• Tetrahydroimidazole compounds useful as pharmaceuticals
  申请人：Ciba-Geigy Corporation

  公开号：US04066778A1

  公开（公告）日：1978-01-03

  The present invention relates to new imidazoles, especially of 4- or 5-nitro-imidazoles, substituted by tetrahydroimidazoles which may be substituted and to such compounds which are valuable chemotherapeutica in the treatment of gram-negative bacteria, protozoa and worms.

  本发明涉及新的咪唑类化合物，特别是4-或5-硝基咪唑类化合物，其被四氢咪唑类化合物取代，这些四氢咪唑类化合物可能被取代，这些化合物在治疗革兰氏阴性菌、原虫和蠕虫方面是有价值的化疗药物。
• Benzimidazole and Pyridylimidazole Derivatives
  申请人：Li Guiying

  公开号：US20080227793A1

  公开（公告）日：2008-09-18

  This invention relates to benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds, all of which may be described by of Formula I The invention is particularly related to such compounds that bind with high selectivity and high affinity to the benzodiazepine site of GABA A receptors. This invention also relates to pharmaceutical compositions comprising such compounds and to the use of such compounds in treatment of certain central nervous system (CNS) diseases. Novel processes for preparing compounds of Formula I are disclosed. This invention also relates to the use of benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds of Formula I in combination with one or more other CNS agents to potentiate the effects of the other CNS agents. Additionally this invention relates to the use such compounds as probes for the localization of GABA A receptors in tissue sections.

  本发明涉及苯并咪唑、吡啶咪唑和相关的双环杂芳烃化合物，所有这些化合物都可以用公式I描述。本发明特别涉及与GABAA受体的苯二氮卓位点具有高选择性和高亲和力的这种化合物。本发明还涉及包含这种化合物的制药组合物以及在治疗某些中枢神经系统（CNS）疾病中使用这种化合物的用途。还公开了制备公式I化合物的新方法。本发明还涉及将公式I的苯并咪唑、吡啶咪唑和相关的双环杂芳烃化合物与一个或多个其他CNS药剂联合使用以增强其他CNS药剂的效果。此外，本发明还涉及将这些化合物用作定位组织切片中的GABAA受体的探针。