[4-(2,2-二甲基-1,3-二氧杂环己烷-5-基)甲氧基-3,5-二甲基吡啶-2-基]甲醇 | 913694-51-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: [4-(2,2-二甲基-1,3-二氧杂环己烷-5-基)甲氧基-3,5-二甲基吡啶-2-基]甲醇
• 英文名称: [4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl]methanol monohydrate
• 英文别名: (4-((2,2-dimethyl-1,3-dioxan-5-yl)methoxy)-3,5-dimethylpyridin-2-yl)methanol；[4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl]methanol；[4-(2,2-dimethyl-1,3-dioxan-5-ylmethoxy)-3,5-dimethylpyridin-2-yl]methanol；[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylpyridin-2-yl]methanol
• CAS: 913694-51-6
• 化学式: C₁₅H₂₃NO₄
• 分子量: 281.352
• InChiKey: VFTVLJIUDVSDAP-UHFFFAOYSA-N

物化性质

• 沸点：
  415.8±40.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [4-(2,2-二甲基-1,3-二氧杂环己烷-5-基)甲氧基-3,5-二甲基吡啶-2-基]甲醇 在 titanium(IV) isopropylate 、 L-(+)-酒石酸二乙酯 sodium methylate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 甲苯 为溶剂， 反应 87.23h， 生成 AZELOPRAZOLE,E3710,钠盐
  参考文献：
  名称：

  WO2008/47849

  摘要：

  公开号：
• 作为产物：
  描述：

  (2,2-二甲基-1,3-二氧六环-5-基)甲醇 在 sodium acetate 氢氧化钾 、 sodium hydroxide 、 水 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 19.0h， 生成 [4-(2,2-二甲基-1,3-二氧杂环己烷-5-基)甲氧基-3,5-二甲基吡啶-2-基]甲醇
  参考文献：
  名称：

  WO2008/47849

  摘要：

  公开号：

文献信息

• Benzimidazole compound
  申请人：Miyazawa Shuhei

  公开号：US20070010542A1

  公开（公告）日：2007-01-11

  An object of the present invention is to provide a novel chemical compound useful as a therapeutic or prophylactic agent for acid-related diseases, having an excellent inhibitory effect against gastric acid secretion, an excellent effect of maintaining the inhibitory effect against gastric acid secretion, thereby maintaining intragastric pH high for a long time, and having more safety and appropriate physicochemical stability. Provided is a compound represented by where R 1 and R 3 may be the same or different and each represent a hydrogen atom or a C1-C6 alkyl group; R 2 represents (5,5-dimethyl-1,3-dioxan-2-yl)methoxy group, 5,7-dioxaspiro[2.5]oct-6-ylmethoxy group, 1,5,9-trioxaspiro[5.5]undec-3-ylmethoxy group, or (2,2-dimethyl-1,3-dioxan-5-yl)methoxy group; R 4 , R 5 , R 6 and R 7 represent a hydrogen atom, halogen atom, C1-C6 alkyl group, C1-C6 haloalkyl group, C1-C6 alkoxy group or C1-C6 haloalkoxy group; and W 1 represents a single bond, methylene or ethylene group, a salt thereof or a solvate of these.

  本发明的目的是提供一种新型化合物，可用作治疗或预防酸相关疾病的药物，具有出色的抑制胃酸分泌作用，保持抑制胃酸分泌作用的出色效果，从而长时间保持胃内pH值高，并具有更高的安全性和适当的理化稳定性。 提供的化合物表示为 其中R 1 和R 3 可以相同也可以不同，每个代表氢原子或C1-C6烷基；R 2 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； R 4 ，R 5 ，R 6 和R 7 代表氢原子，卤原子，C1-C6烷基，C1-C6卤代烷基，C1-C6烷氧基或C1-C6卤代烷氧基；W 1 表示单键，亚甲基或乙烯基，其盐或这些的溶剂化合物。
• 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。
• 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。
• BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION
  申请人：Ueda Masato

  公开号：US20090292120A1

  公开（公告）日：2009-11-26

  The present invention provides a compound that has superior gastric acid secretion inhibitory action, ample long-lasting gastric acid secretion inhibitory action, and is able to maintain intragastric pH at a high level for an extended period of time, making it useful as a therapeutic or prophylactic agent for diseases or symptoms caused by gastric acid, as well as an active form of this compound (form to which the compound is converted in the body following administration thereof) in the form of a compound represented by general formula (1a) (wherein R2 represents a group represented by formula (I) or the like, and R1, R3, W1 and X − are as defined in the description).

  本发明提供一种化合物，具有卓越的胃酸分泌抑制作用、充足的持久性胃酸分泌抑制作用，并能够在一段较长时间内维持胃内pH值较高，因此可用作治疗或预防由胃酸引起的疾病或症状的治疗或预防剂，以及该化合物的活性形式（在给药后体内转化为该化合物的形式），其以通式（1a）所表示的化合物形式存在（其中R2代表由式（I）或类似式所表示的基团，而R1、R3、W1和X-如描述中所定义）。