N-<2-(2-Benzimidazolylthio)-ethyl>-morpholin | 41821-62-9

• 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: N-<2-(2-Benzimidazolylthio)-ethyl>-morpholin
• 英文别名: 2-(2-morpholin-4-yl-ethylsulfanyl)-1H-benzoimidazole；2-(2-N-morpholino)ethylthio benzimidazole；2[(2-morpholinoethyl)thio]benzimidazole；Cambridge id 5684880；4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]morpholine
• CAS: 41821-62-9
• 化学式: C₁₃H₁₇N₃OS
• 分子量: 263.363
• InChiKey: CNFMDDGDYAXBSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  66.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-<2-(2-Benzimidazolylthio)-ethyl>-morpholin 、 2-(2-pyrrolidin-1-yl-ethylsulfanyl)-1H-benzoimidazole 生成 1-(2-Ethoxyethyl)-2-[2-(N-morpholino)ethylthio]benzimidazole
  参考文献：
  名称：

  EP334818

  摘要：

  公开号：
• 作为产物：
  描述：

  1H-苯并咪唑-2-硫醇 生成 N-<2-(2-Benzimidazolylthio)-ethyl>-morpholin
  参考文献：
  名称：

  ASHKINAZI, L. A.;MALYGIN, M. V.

  摘要：

  DOI：

文献信息

• Pharmacologically active alkylthiobenz imidazole derivatives and process for the preparation thereof
  申请人：DOMPE' FARMACEUTICI S.p.A.

  公开号：EP0334818A1

  公开（公告）日：1989-09-27

  New alkylthiobenzimidazole derivatives are described which belong to the class of formula: wherein R₁ and R₂ each represent a 1-3 carbon atom alkyl radical or they may form with the adjacent nitrogen atom, an optionally substituted heterocyclic ring, X represents a hydrogen atom or methyl radical n is 1 or 2 R₃ represents a 4 - 6 carbon atom alkoxyalkyl radical, a 7 or 8 carbon atom arylalkyl radical or a 5 or 6 carbon atom cycloalkyl radical with the exception that R₃ may not be an arylalkyl radical when R₁ and R₂ each represent a 1-3 carbon atom alkyl radical R₄ and R₅ may be the same or different and each represent a hydrogen atom or a 1-2 carbon atom alkyl or they, attached at the positions 5 and 6 of the benzimidazole nucleus, may form together the ring The compounds (I) possess interesting antihistaminic and anti-­allergic activities.

  所述的新烷基硫代苯并咪唑衍生物属于式中的一类： 其中 R₁ 和 R₂ 各自代表 1-3 个碳原子的烷基，或者它们可以与相邻的氮原子形成任选取代的杂环、 X 代表氢原子或甲基 n 为 1 或 2 R₃ 代表 4-6 个碳原子的烷氧基烷基、7 或 8 个碳原子的芳基烷基或 5 或 6 个碳原子的环烷基，但当 R₁ 和 R₂ 各自代表 1-3 个碳原子的烷基时，R₃ 可能不是芳基烷基。 R₄ 和 R₅ 可以相同或不同，各自代表一个氢原子或 1-2 个碳原子的烷基，或者它们连接在苯并咪唑核的第 5 位和第 6 位，可以共同形成环 化合物（I）具有有趣的抗组胺和抗过敏活性。
• Thiazole and imidazole derivatives and antiulcer composition containing same
  申请人：MEIJI SEIKA KABUSHIKI KAISHA

  公开号：EP0452076A1

  公开（公告）日：1991-10-16

  A thiazole or imidazole derivative having the general formula (I): wherein: R¹ and R², which may be the same or different, each independently represent a hydrogen atom, or a phenyl or heteroaryl group, or R¹ and R² may together form a benzene ring which may be optionally substituted by a halogen atom or a lower alkyl optionally substituted by a halogen atom, lower alkoxy or nitro group; A represents a sulfur atom or -NH-; B represents a lower alkoxy group optionally substituted by a halogen atom; a five- or six-membered saturated heterocyclic ring containing one nitrogen or oxygen atom which ring may be optionally substituted; a six-membered saturated heterocyclic ring containing one oxygen atom plus one nitrogen atom; a group -XR³ where X represents a group -NR⁴ wherein R³ and R⁴, which may be the same or different, each independently represent a lower alkyl group; or a group -NHC(=Y)R⁵ where Y represents an oxygen or sulfur atom or a group =NCN or =CHNO₂, and R⁵ represents a group -NHR⁶ or -SR⁶ wherein R⁶ represents a lower alkyl group optionally substituted by a halogen atom; m is an integer from 1 to 4; and n is an integer from 0 to 2; and their pharmacologically acceptable salts. The compounds has an antiulcerative activity.

  具有通式 (I) 的噻唑或咪唑衍生物： 其中 R¹和 R²（可以相同或不同）各自独立地代表一个氢原子，或一个苯基或杂芳基，或 R¹和 R²可共同形成一个苯环，该苯环可任选被卤素原子或任选被卤素原子、低级烷氧基或硝基取代的低级烷基取代； A 代表硫原子或-NH-； B 代表可任选被卤素原子取代的低级烷氧基； 包含一个氮原子或氧原子的五元或六元饱和杂环，该环可任选被取代； 包含一个氧原子加一个氮原子的六元饱和杂环；基团 -XR³ 其中 X 代表基团 -NR⁴ 其中 R³ 和 R⁴ 可以相同或不同，各自独立地代表低级烷基；或基团 -NHC(=Y)R⁵ 其中 Y 代表氧原子或硫原子或基团 =NCN 或 =CHNO₂，且 R⁵ 代表基团 -NHR⁶ 或 -SR⁶，其中 R⁶ 代表任选被卤原子取代的低级烷基； m 是 1 至 4 的整数；以及 n 是 0 至 2 的整数； 及其药理学上可接受的盐类。这些化合物具有抗溃疡活性。
• 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.
• US4983620A
  申请人：——

  公开号：US4983620A

  公开（公告）日：1991-01-08
• US5171746A
  申请人：——

  公开号：US5171746A

  公开（公告）日：1992-12-15