(9ci)-2-[(1-甲基乙基)硫代]-1H-苯并咪唑 | 124530-70-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: (9ci)-2-[(1-甲基乙基)硫代]-1H-苯并咪唑
• 英文名称: 2-Isopropylthiobenzimidazole
• 英文别名: 2-(1-methylthio)benzimidazole；2-isopropylmercapto-1H-benzimidazole；2-Isopropylmercapto-1H-benzimidazol；2-(Isopropylthio)-1H-benzimidazole；2-propan-2-ylsulfanyl-1H-benzimidazole
• CAS: 124530-70-7
• 化学式: C₁₀H₁₂N₂S
• mdl: MFCD00159992
• 分子量: 192.285
• InChiKey: LTAKQCSXVMTUGQ-UHFFFAOYSA-N

物化性质

• 熔点：
  187 °C
• 沸点：
  347.0±25.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (9ci)-2-[(1-甲基乙基)硫代]-1H-苯并咪唑 在 氢氧化钾 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 13.0h， 生成 2-[(1-methylethyl)sulfonyl]-1-(phenylmethyl)benzimidazole
  参考文献：
  名称：

  Enantioselective hydrogen atom transfer to α-sulfonyl radicals controlled by selective coordination of a chiral Lewis acid to an enantiotopic sulfonyl oxygen

  摘要：

  Enantioselective hydrogen atom transfer to a-sulfonyl radicals generated from the alkyl radical addition to 2-propenyl and 1-phenylethenyl sulfones in the presence of chiral Lewis acids affords products with high enantioselectivity. The stereochemical course is discussed with the transition states involving selective coordination of a chiral Lewis acid to an enantiotopic sulfonyl oxygen. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00531-7
• 作为产物：
  描述：

  1H-苯并咪唑-2-硫醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium 作用下， 以 乙醇 为溶剂， 反应 12.5h， 以45%的产率得到(9ci)-2-[(1-甲基乙基)硫代]-1H-苯并咪唑
  参考文献：
  名称：

  Synthesis and preliminary evaluation of benzimidazole derivatives as antimicrobial agents

  摘要：

  A series of 2-alkylsulphanylbenzimidazoles was synthesised and the compounds were evaluated for their in vitro antimicrobial activity. The structures of the compounds were confirmed by H-1-NMR and IR data, and their purity by elemental analysis. Antimycobacterial activities against Mycobacterium tuberculosis and non-tuberculous mycobacteria as well as antifungal activities against Candida albicans, Candida tropicalis, Candida krusei, Candida glabrata, Trichosporon beigelii, Trichophyton mentagrophytes and Aspergillus fumigatus were expressed as the corresponding MIC values. The substances exhibited appreciable antimycobacterial activity, in particular, against non-tuberculous mycobacteria. The activity of the most active compound in the set, 3,5-dinitro derivative 4t, exceeded that of the standard isoniazide against M. kansasii and M. avium. The antifungal activities of the compounds were relatively low. A weak antifungal effect was observed against the dermatophyte Trichophyton mentagrophytes. None of the compounds showed significant inhibitory activity against yeasts. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(02)01342-9

文献信息

• INHIBITORS OF C-MET AND USES THEREOF
  申请人：Lauffer David J.

  公开号：US20100190774A1

  公开（公告）日：2010-07-29

  The present invention provides compounds useful as inhibitors of c-Met tyrosine kinase. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various proliferative disorders.

  本发明提供了作为c-Met酪氨酸激酶抑制剂有用的化合物。本发明还提供了包括本发明化合物的药学上可接受的组合物以及使用这些组合物治疗各种增殖性疾病的方法。
• Inhibiting germination of clostridium perfringens spores to reduce necrotic enteritis
  申请人：The Board of Regents of the Nevada System of Higher Education on Behalf of the University of Nevada

  公开号：US10945996B2

  公开（公告）日：2021-03-16

  Provided herein are materials and methods useful for reducing, preventing, and/or inhibiting germination of C. perfringens spores, including methods for inhibiting C. perfringens germination to reduce necrotizing enteritis (NE, also referred to as necrotic enteritis) in animals. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本文提供了用于减少、预防和/或抑制C. perfringens孢子萌发的材料和方法，包括抑制C. perfringens萌发以减少动物坏死性肠炎（NE，也称为坏死性肠炎）的方法。本摘要旨在作为特定技术领域的扫描工具，供检索之用，并非对本发明的限制。
• Angelini, Annali di Chimica, 1955, vol. 45, p. 162,164
  作者：Angelini

  DOI：——

  日期：——
• Lee, Tae Ryong; Kim, Kyongtae, Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 747 - 751
  作者：Lee, Tae Ryong、Kim, Kyongtae

  DOI：——

  日期：——
• Inhibiting Germination of Clostridium Perfringens Spores to Reduce Necrotic Enteritis
  申请人：Abel-Santos Ernesto

  公开号：US20180000793A1

  公开（公告）日：2018-01-04

  Provided herein are materials and methods useful for reducing, preventing, and/or inhibiting germination of C. perfringens spores, including methods for inhibiting C. perfringens germination to reduce necrotizing enteritis (NE, also referred to as necrotic enteritis) in animals. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.