2-(((4-((2,2-dimethyl-1,3-dioxan-5-yl)methoxy)-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole

• 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-(((4-((2,2-dimethyl-1,3-dioxan-5-yl)methoxy)-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole
• 英文别名: 2-[({4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylpyridin-2-yl}methyl)sulfinyl]-1H-benzimidazole；2-[[[4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl]methyl]sulfinyl]-1 H-benzimidazole；2-({[4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole；2-[[[4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole；2-[4-(2,2-dimethyl-1,3-dioxan-5-ylmethoxy)-3,5-dimethylpyridin-2-ylmethanesulfinyl]-1H-benzimidazole；2-[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole
• 化学式: C₂₂H₂₇N₃O₄S
• 分子量: 429.54
• InChiKey: DWDKHTXMLSZGDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(((4-((2,2-dimethyl-1,3-dioxan-5-yl)methoxy)-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole 在 sodium hydroxide 、 乙醇 作用下， 以 乙醇 为溶剂， 以to obtain the title compound (447 mg, yield: 88.4%) as a white solid的产率得到Ethanol hexane
  参考文献：
  名称：

  Benzimidazole compound

  摘要：

  本发明的目的是提供一种新型化合物，作为治疗或预防酸相关疾病的药物，具有出色的抑制胃酸分泌的效果，保持抑制胃酸分泌的效果，从而使胃内pH值长时间保持高水平，并具有更高的安全性和适当的物理化学稳定性。所提供的化合物的结构如下：其中，R1和R3可以相同也可以不同，分别表示氢原子或C1-C6烷基；R2表示(5,5-二甲基-1,3-二氧杂环戊烷-2-基)甲氧基基团、5,7-二氧杂螺[2.5]辛-6-基甲氧基基团、1,5,9-三氧杂螺[5.5]十一烷-3-基甲氧基基团或(2,2-二甲基-1,3-二氧杂环戊烷-5-基)甲氧基基团；R4、R5、R6和R7分别表示氢原子、卤素原子、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基或C1-C6卤代烷氧基；W1表示单键、亚甲基或乙烯基、其盐或这些的溶剂化物。

  公开号：

  US20070015782A1
• 作为产物：
  描述：

  (2,2-二甲基-1,3-二氧六环-5-基)甲醇 在 potassium tert-butylate 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 二甲基亚砜 、 甲苯 为溶剂， 反应 69.83h， 生成 2-(((4-((2,2-dimethyl-1,3-dioxan-5-yl)methoxy)-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole
  参考文献：
  名称：

  WO2008/47849

  摘要：

  公开号：

文献信息

• PROCESS FOR PRODUCTION OF SULFINYLBENZIMIDAZOLE COMPOUNDS OR SALTS THEREOF
  申请人：Kamada Atsushi

  公开号：US20100022778A1

  公开（公告）日：2010-01-28

  It is an object of the present invention to provide a process for the production on an industrial scale of a compound (1) or a salt thereof. There is provided a process for the production of compound (1) represented by the formula or a salt thereof: (wherein R1 and R3 independently represents a hydrogen atom or a methyl group), the process comprising the steps of: (a) reacting together a compound (3T) represented by the formula: (wherein X1 represents a leaving group, and R1 and R3 are defined as above) and (2,2-dimethyl-1,3-dioxan-5-yl)methanol represented by the formula or a salt thereof: so as to produce a compound (2T) represented by the formula (wherein R1 and R3 are defined as above); and (b) reacting the compound represented by above formula (2T) with an oxidizing agent.

  本发明的目的是提供一种工业规模生产化合物（1）或其盐的方法。提供一种生产化合物（1）或其盐的方法，化合物（1）的结构式如下：（其中R1和R3分别表示氢原子或甲基基团），该方法包括以下步骤：（a）将化合物（3T）和（2,2-二甲基-1,3-二氧杂环戊烷-5-基）甲醇反应，化合物（3T）的结构式如下：（其中X1表示离去基团，R1和R3如上定义），以产生化合物（2T），其结构式如下：（其中R1和R3如上定义）；（b）将上述结构式为（2T）的化合物与氧化剂反应。
• 4,5-Dihydro-1h-pyrazole derivatives having potent cb1-antagonistic activity
  申请人：——

  公开号：US20040106800A1

  公开（公告）日：2004-06-03

  The present invention relates to a group of novel 4,5-dihydro-1H-pyrazole derivatives which are potent cannabinoid (CB 1 ) receptor antagonists with utility for the treatment of diseases connected with disorders of the cannabinoid system. The compounds have the general formula (Ia) or (Ib) wherein the symbols have the meanings given in the specification. The invention also relates to methods for the preparation of these compounds, and to pharmaceutical compositions containing one or more of these compounds as an active component. 1

  本发明涉及一类新型的4,5-二氢-1H-吡唑衍生物，它们是有效的大麻素（CB1）受体拮抗剂，可用于治疗与大麻素系统紊乱相关的疾病。这些化合物具有通式（Ia）或（Ib），其中符号的含义如规范中所述。本发明还涉及制备这些化合物的方法，以及包含其中一种或多种这些化合物作为活性成分的制药组合物。
• 4,5-Dihydro-1H-pyrazole derivatives having potent CB1-antagonistic activity
  申请人：Lange H.M. Josephus

  公开号：US20070259884A1

  公开（公告）日：2007-11-08

  The present invention relates to a group of novel 4,5-dihydro-1H-pyrazole derivatives which are potent cannabinoid (CB 1 ) receptor antagonists with utility for the treatment of diseases connected with disorders of the cannabinoid system. The compounds have the general formula (Ia) or (Ib) wherein the symbols have the meanings given in the specification. The invention also relates to methods for the preparation of these compounds, and to pharmaceutical compositions containing one or more of these compounds as an active component.

  本发明涉及一组新型的4,5-二氢-1H-吡唑衍生物，它们是具有治疗与大麻素系统紊乱相关疾病的功效的强效大麻素（CB1）受体拮抗剂。这些化合物具有通式（Ia）或（Ib），其中符号具有规范中所给定的含义。本发明还涉及制备这些化合物的方法，以及含有这些化合物之一或多个作为活性成分的制药组合物。
• Stabilized composition
  申请人：Ukai Koji

  公开号：US20090274756A1

  公开（公告）日：2009-11-05

  It is intended to provide a pharmaceutical composition which contains a proton pump inhibitor and is stable even if it is stored for a long time. It is also intended to provide a pharmaceutical composition which contains a proton pump inhibitor susceptible to acid, and does not dissolve in the stomach but dissolves in the intestine to release a primary drug product promptly. The object could be achieved by the pharmaceutical composition characterized in that a layer containing a proton pump inhibitor and ethyl cellulose, a layer containing an enteric polymer, and if necessary an intermediate layer composed of one or more layers are formed on a pharmacologically inactive core substance. The intermediate layer is composed of a water-insoluble polymer, a water-soluble polymer, a lubricant and the like.

  本发明旨在提供一种药物组合物，其中包含质子泵抑制剂，并且即使长时间存储也是稳定的。还旨在提供一种药物组合物，其中包含易受酸性影响的质子泵抑制剂，并且不会在胃中溶解，但会在肠道中溶解，以迅速释放主要药物成分。该目标可以通过药物组合物实现，其特征在于在药理学上不活性的核心物质上形成含有质子泵抑制剂和乙基纤维素的层，含有肠溶性聚合物的层，以及必要时由一个或多个层组成的中间层。中间层由水不溶性聚合物、水溶性聚合物、润滑剂等组成。
• STABILIZED COMPOSITION
  申请人：Ukai Koji

  公开号：US20080145421A1

  公开（公告）日：2008-06-19

  It is intended to provide a pharmaceutical composition which contains a proton pump inhibitor and is stable even if it is stored for a long time. It is also intended to provide a pharmaceutical composition which contains a proton pump inhibitor susceptible to acid, and does not dissolve in the stomach but dissolves in the intestine to release a primary drug product promptly. The object could be achieved by the pharmaceutical composition characterized in that a layer containing a proton pump inhibitor and ethyl cellulose, a layer containing an enteric polymer, and if necessary an intermediate layer composed of one or more layers are formed on a pharmacologically inactive core substance. The intermediate layer is composed of a water-insoluble polymer, a water-soluble polymer, a lubricant and the like.

  本发明旨在提供一种含有质子泵抑制剂且即使长时间储存也稳定的制药组合物。还旨在提供一种含有易受酸性影响的质子泵抑制剂的制药组合物，不会在胃中溶解，但会在肠道中迅速释放主要药物成分。该目标可以通过制药组合物来实现，其特征在于在药理学上不活性的核心物质上形成含有质子泵抑制剂和乙基纤维素的层，含有肠溶性聚合物的层，以及必要时由一个或多个层组成的中间层。中间层由水不溶性聚合物、水溶性聚合物、润滑剂等组成。