2-pyridin-2-ylsulfanylmethyl-1H-benzoimidazole | 112494-51-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-pyridin-2-ylsulfanylmethyl-1H-benzoimidazole
• 英文别名: S-benzimidazolylmethylthiopyridine；2-(pyridin-2-ylsulfanylmethyl)-1H-benzimidazole
• CAS: 112494-51-6
• 化学式: C₁₃H₁₁N₃S
• 分子量: 241.316
• InChiKey: APUTYNOGQQOAJV-UHFFFAOYSA-N

物化性质

• 沸点：
  498.0±25.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION
  申请人：Yamamoto Masaichi

  公开号：US20120041030A1

  公开（公告）日：2012-02-16

  Disclosed are a novel pyridine thio derivative, and a pharmaceutical composition using the novel pyridine thio derivative, particularly a pharmaceutical composition having selective antibacterial activity against Helicobacter pylori . Specifically disclosed is a pyridine thio derivative represented by general formula (I) (wherein R 1 and R 2 each represents a hydrogen atom, a C 1-8 alkyl group or the like; R 3 and R 4 each represents a hydrogen atom, a C 1-8 alkyl group or the like; X represents —O—, —S— or the like; Y represents a C 1-12 alkyl group which may be substituted by a substituent or —(R 5 —O) n —R 6 (wherein R 5 represents a C 1-5 alkylene group; R 6 represents a C 1-8 alkyl group which may be substituted by a substituent, and n represents an integer of 1-10); and Z represents a hydrogen atom or the like), or a pharmacologically acceptable salt thereof. Also specifically disclosed is a pharmaceutical composition containing the pyridine thio derivative or a salt thereof.

  揭示了一种新型吡啶硫代衍生物，以及使用该新型吡啶硫代衍生物的药物组合物，特别是具有选择性抗幽门螺杆菌活性的药物组合物。具体揭示了由通式（I）表示的吡啶硫代衍生物（其中R1和R2分别表示氢原子、C1-8烷基或类似物；R3和R4分别表示氢原子、C1-8烷基或类似物；X表示—O—、—S—或类似物；Y表示C1-12烷基基团，可能被取代基或—(R5—O)n—R6（其中R5表示C1-5烷基烷基团；R6表示可能被取代基的C1-8烷基或类似物，n表示1-10的整数）；Z表示氢原子或类似物），或其药理学上可接受的盐。还具体揭示了含有吡啶硫代衍生物或其盐的药物组合物。
• TNF -ALPHA MODULATING BENZIMIDAZOLES
  申请人：UCB Biopharma SPRL

  公开号：EP2858983A1

  公开（公告）日：2015-04-15
• [EN] TNF -ALPHA MODULATING BENZIMIDAZOLES<br/>[FR] BENZIMIDAZOLES MODULANT LE TNF-ALPHA
  申请人：UCB PHARMA SA

  公开号：WO2013186229A1

  公开（公告）日：2013-12-19

  A series of benzimidazole derivatives, being potent modulators of human TNFα activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including autoimmune and inflammatory disorders; neurological and neurodegenerative disorders; pain and nociceptive disorders; cardiovascular disorders; metabolic disorders; ocular disorders; and oncological disorders.