2-((2-(2-methoxyphenoxy)ethyl)thio)-1H-benzo[d]imidazole | 319489-19-5

• 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-((2-(2-methoxyphenoxy)ethyl)thio)-1H-benzo[d]imidazole
• 英文别名: 2-(2-(2-methoxyphenoxy)ethylthio)-1H-benzimidazole；2-{[2-(2-Methoxyphenoxy)ethyl]thio}-1H-benzimidazole；2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
• CAS: 319489-19-5
• 化学式: C₁₆H₁₆N₂O₂S
• mdl: MFCD00640536
• 分子量: 300.381
• InChiKey: MWPZHSQYGBSDAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  72.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为产物：
  描述：

  木榴油 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 136.0h， 生成 2-((2-(2-methoxyphenoxy)ethyl)thio)-1H-benzo[d]imidazole
  参考文献：
  名称：

  S-取代的2-巯基苯并咪唑类化合物作为刺猬信号抑制剂的合成与研究

  摘要：

  由于针对Hedgehog信号传导途径的常见药物出现耐药性，因此迫切需要鉴定具有抑制作用的新化合物。我们能够鉴定出S-烷基化的2-巯基苯并咪唑为一种新的化合物类别，该化合物在低微摩尔范围内表现出刺猬信号的活性。已经通过各种衍生物的合成研究了2-巯基苯并咪唑基序的范围，揭示了相对于化合物类别的活性，接头单元的伸长和特定取代模式的交换是可容忍的。

  DOI：

  10.1021/acsmedchemlett.7b00100

文献信息

• [EN] 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS<br/>[FR] DERIVES DE L'ACIDE 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIQUE EN TANT QU'ANTAGONISTES DE CRTH2
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2006021418A1

  公开（公告）日：2006-03-02

  The invention relates to 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives and their use as potent 'chemoattractant receptor-homologous molecule expressed on Th2 cells' antagonists in the treatment of prostaglandin mediated diseases, to pharmaceutical compositions containing these derivatives and to processes for their preparation.

  这项发明涉及2-硫代基苯并咪唑-1-基乙酸衍生物及其在治疗前列腺素介导的疾病中作为强效“趋化受体同源分子在Th2细胞上表达”的拮抗剂的用途，涉及含有这些衍生物的药物组合物以及其制备方法。
• 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1784182A1

  公开（公告）日：2007-05-16
• HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS
  申请人：Redpoint Bio Corporation

  公开号：EP2061321A2

  公开（公告）日：2009-05-27
• Heterocyclic Compounds as Sweetener Enhancers
  申请人：ATWAL Karnail S.

  公开号：US20100197813A1

  公开（公告）日：2010-08-05

  The present invention is directed to the use of a compound of Formula I and physiologically acceptable salts thereof wherein G 1 , G 2 , G 3 , R 1 , R 2 , R 7 , R 3 , R 4 , and R 5 are defined herein. Compounds according to Formula I can be used to enhance a sweet taste produced by a tastant. The invention is also directed to compositions comprising a compound according to the above formula. Other aspects of the invention provide methods, compounds, and compositions for improved food products wherein the food product comprises a compound according to Formula I and a reduced amount of a sweet tastant.
• ACTIVE SUBSTANCE AND PHARMACEUTICAL COMPOSITION FOR TREATING ALCOHOL DEPENDENCE, AND A METHOD FOR OBTAINING AND THE USE OF SAID ACTIVE SUBSTANCE
  申请人：Ivashchenko Andrey Alexandrovich

  公开号：US20110245231A1

  公开（公告）日：2011-10-06

  The invention relates to novel drug substance for the treatment of alcohol dependence, pharmaceutical composition, medicament and method for treatment of dependence on using ethyl alcohol containing beverages. The invention provides a drug substance for treating alcohol dependence in human and warm-blooded animals representing substituted 1H-benzimidazoles of the general formula 1 or pharmaceutically acceptable salts and/or hydrates thereof wherein: W represents S or S═0 group; R 1 represents one or more substituent selected from hydrogen, halogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, optionally substituted azaheterocyclyl; R 2 represents hydrogen or optionally substituted C 1 -C 4 alkyl; R 3 and R 4 independently represent optionally identical substituents selected from hydrogen or optionally substituted C 1 -C 4 alkyl; R 5 represents an alkyl substituent selected from hydrogen, optionally substituted C 1 -C 7 alkyl, optionally substituted aryl, optionally substituted heterocyclyl, C 1 -C 4 alkoxycarbonyl, optionally substituted aminocarbonyl.