(+/-) carbonic acid, 1-chloroethyl tetrahydro-2H-pyran-4-yl ester | 131801-45-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: (+/-) carbonic acid, 1-chloroethyl tetrahydro-2H-pyran-4-yl ester
• 英文别名: 1-chloroethyl tetrahydro-2H-pyran-4-yl carbonate；1-Chloroethyl oxan-4-yl carbonate
• CAS: 131801-45-1
• 化学式: C₈H₁₃ClO₄
• 分子量: 208.642
• InChiKey: LBVUVJVPCNEFMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (+/-) carbonic acid, 1-chloroethyl tetrahydro-2H-pyran-4-yl ester 、 sodium 6β-hydroxymethylsulbactam 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 312.0h， 生成 (2S,5R,6R) 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(hydroxymethyl)-3,3-dimethyl-7-oxo-[[[(tetrahydro-2H-pyran-4-yl)oxy]carbonyl]oxy]ethyl ester, 4,4-dioxide
  参考文献：
  名称：

  [EN] BETA-LACTAMASE INHIBITOR PRODRUG
  [FR] PROMEDICAMENT INHIBITEUR DE LA BETA-LACTAMASE

  摘要：

  6-β-羟甲基青霉烷酸磺酸的前药具有以下结构，其中R为H或甲基，每个X为亚甲基，Y为0，或其中R为H，每个X为0，Y为亚甲基，以及其溶剂化合物。还披露了包括本发明的前药或其溶剂化合物、可选的β-内酰胺类抗生素和至少一种药用可接受载体的药物组合物。进一步披露了通过给哺乳动物投予有效量的β-内酰胺类抗生素和本发明的前药或其溶剂化合物的增效量来增加β-内酰胺类抗生素的治疗效果的方法。此外，还披露了通过给需要的哺乳动物投予本发明的药物组合物的治疗有效量来治疗哺乳动物的细菌感染的方法。

  公开号：

  WO2004108733A1
• 作为产物：
  描述：

  1-氯乙基氯甲酸酯 生成 (+/-) carbonic acid, 1-chloroethyl tetrahydro-2H-pyran-4-yl ester
  参考文献：
  名称：

  ADAM, FRIEDHELM;BLUMBACH, JURGEN;DURCKHEIMER, WALTER;FISCHER, GERD;MENCKE+

  摘要：

  DOI：

文献信息

• Benzimidazone compound, process for producing the same, and use thereof
  申请人：——

  公开号：US20040248941A1

  公开（公告）日：2004-12-09

  The present invention relates to a compound represented by the following formula 1 wherein each symbol is as defined in the specification, or a salt thereof, which has superior stability to acid and which is a prodrug of 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]- 1 H-benzimidazole. This compound (1) shows a superior anti-ulcer activity, a gastric acid secretion-suppressive action, a mucosa-protecting action, an anti- Helicobacter pylori action and the like in living organisms, (2) shows low toxicity, (3) shows superior stability to acid (which obviates the need to formulate an enteric-coated preparation, thereby lowering the cost, and reduces the size of preparation to facilitate swallowing for patients having difficulty in swallowing), (4) shows faster absorption than enteric-coated preparations (rapid expression of gastric acid secretion-suppressive action), and (5) is sustainable.

  本发明涉及以下式1所表示的化合物或其盐，其中每个符号如规范中所定义，该化合物具有优异的酸稳定性，并且是2-[[[3-甲基-4-(2,2,2-三氟乙氧基)-2-吡啶基]甲基]亚磺酰基]-1H-苯并咪唑的前药。该化合物（1）在生物体内显示出优异的抗溃疡活性、抑制胃酸分泌作用、保护粘膜作用、抗幽门螺杆菌作用等，（2）显示出低毒性，（3）显示出优异的酸稳定性（无需配制肠溶涂层制剂，从而降低成本，并减小制剂的大小，以便于吞咽困难的患者），（4）显示出比肠溶涂层制剂更快的吸收速度（快速表达胃酸分泌抑制作用），并且（5）是可持续的。
• BENZIMIDAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1437352A1

  公开（公告）日：2004-07-14

  The present invention relates to a compound represented by the following formula wherein each symbol is as defined in the specification, or a salt thereof, which has superior stability to acid and which is a prodrug of 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole. This compound (1) shows a superior anti-ulcer activity, a gastric acid secretion-suppressive action, a mucosa-protecting action, an anti-Helicobacter pylori action and the like in living organisms, (2) shows low toxicity, (3) shows superior stability to acid (which obviates the need to formulate an enteric-coated preparation, thereby lowering the cost, and reduces the size of preparation to facilitate swallowing for patients having difficulty in swallowing), (4) shows faster absorption than enteric-coated preparations (rapid expression of gastric acid secretion-suppressive action), and (5) is sustainable.

  本发明涉及由下式表示的化合物 其中各符号如说明书中所定义，或其盐，它对酸具有优异的稳定性，是 2-[[[3-甲基-4-(2,2,2-三氟乙氧基)-2-吡啶基]甲基]亚磺酰基]-1H-苯并咪唑的原药。这种化合物(1) 在生物体内显示出卓越的抗溃疡活性、胃酸分泌抑制作用、粘膜保护作用、抗幽门螺旋杆菌作用等；(2) 毒性低；(3) 对酸显示出卓越的稳定性（这就无需配制肠溶制剂、(4) 比肠溶制剂吸收更快（快速发挥抑制胃酸分泌的作用），以及 (5) 具有可持续性。
• ADAM, FRIEDHELM;BLUMBACH, JURGEN;DURCKHEIMER, WALTER;FISCHER, GERD;MENCKE+
  作者：ADAM, FRIEDHELM、BLUMBACH, JURGEN、DURCKHEIMER, WALTER、FISCHER, GERD、MENCKE+

  DOI：——

  日期：——
• [EN] BETA-LACTAMASE INHIBITOR PRODRUG<br/>[FR] PROMEDICAMENT INHIBITEUR DE LA BETA-LACTAMASE
  申请人：PFIZER PROD INC

  公开号：WO2004108733A1

  公开（公告）日：2004-12-16

  Prodrugs of 6-β-hydroxymethylpenicillanic acid sulfone having the structure wherein R is H or methyl, each X is methylene, and Y is 0, or wherein R is H, each X is 0 and Y is methylene, and solvates thereof are disclosed. Also disclosed are pharmaceutical compositions comprising a prodrug of the present invention, or a solvate thereof, an optional beta-lactam antibiotic and at least one pharmaceutically acceptable carrier. Further disclosed is a method for increasing the therapeutic effectiveness of a beta-lactam antibiotic in 20 a mammal by administering an effective amount of a beta­lactam antibiotic and an effectiveness-increasing amount of a prodrug of the present invention, or a solvate thereof. Additionally disclosed is a method for treating a bacterial infection in a mammal by administering a therapeutically effective amount of a pharmaceutical composition of the present invention to a mammal in need thereof.

  6-β-羟甲基青霉烷酸磺酸的前药具有以下结构，其中R为H或甲基，每个X为亚甲基，Y为0，或其中R为H，每个X为0，Y为亚甲基，以及其溶剂化合物。还披露了包括本发明的前药或其溶剂化合物、可选的β-内酰胺类抗生素和至少一种药用可接受载体的药物组合物。进一步披露了通过给哺乳动物投予有效量的β-内酰胺类抗生素和本发明的前药或其溶剂化合物的增效量来增加β-内酰胺类抗生素的治疗效果的方法。此外，还披露了通过给需要的哺乳动物投予本发明的药物组合物的治疗有效量来治疗哺乳动物的细菌感染的方法。