cefditoren acid | 104146-14-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: cefditoren acid
• 英文别名: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS: 104146-14-7
• 化学式: C₁₉H₁₈N₆O₅S₃
• 分子量: 506.587
• InChiKey: KMIPKYQIOVAHOP-STHJUDTRSA-N

物化性质

• 密度：
  1.75±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  242
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  cefditoren acid 、 头孢托仑 在 potassium acetate 、 三乙胺 作用下， 以 水 、 丙酮 为溶剂， 反应 8.0h， 生成 potassium (6R,7R)-7-[(Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido]-3-[(Z)-2-(4-methylthiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 、 cefditoren acid potassium salt
  参考文献：
  名称：

  [EN] DEPLETION OF E-ISOMERS IN PREPARATION OF Z-ENRICHED 3-(2-SUBSTITUTED VINYL) CEPHALOSPORINS
  [FR] DEPLETION D'E-ISOMERES DANS LA PREPARATION DE CEPHALOSPORINES (VINYLE SUSBSTITUE EN 2)-3 ENRICHIES EN Z

  摘要：

  本发明涉及通过选择性结晶技术从同种Z/E混合物中消耗3-(2-取代乙烯基)头孢菌素的E异构体。本发明涉及含量低于5% E异构体的Z富集化合物。

  公开号：

  WO2005100369A1
• 作为产物：
  描述：

  cefditoren acid potassium salt 在 水 作用下， 生成 cefditoren acid 、 头孢托仑
  参考文献：
  名称：

  [EN] DEPLETION OF E-ISOMERS IN PREPARATION OF Z-ENRICHED 3-(2-SUBSTITUTED VINYL) CEPHALOSPORINS
  [FR] DEPLETION D'E-ISOMERES DANS LA PREPARATION DE CEPHALOSPORINES (VINYLE SUSBSTITUE EN 2)-3 ENRICHIES EN Z

  摘要：

  本发明涉及通过选择性结晶技术从同种Z/E混合物中消耗3-(2-取代乙烯基)头孢菌素的E异构体。本发明涉及含量低于5% E异构体的Z富集化合物。

  公开号：

  WO2005100369A1

文献信息

• A stably storable and readily water soluble composition of cephalosporin for injections
  申请人：MEIJI SEIKA KAISHA LTD.

  公开号：EP0695548A1

  公开（公告）日：1996-02-07

  A stably storable and readily water soluble composition for use in preparing injections and containing Cefditoren, namely a cephalosporin of the formula is now provided, which composition comprises a physical mixture of Cefditoren or a non-toxic salt thereof with a proportion of arginine and/or lysine and/or a non-toxic salt thereof. This new composition of Cefditoren can be stored for long periods of time without discoloration and without undesirable reduction in the antibacterial activity, and the composition can be dissolved completely and quickly in water.

  一种用于配制注射剂并含有头孢地托伦的稳定可贮存且易溶于水的组合物，即一种头孢菌素，其式为 该组合物由头孢妥仑或其无毒盐与一定比例的精氨酸和/或赖氨酸和/或其无毒盐的物理混合物组成。这种新的头孢妥仑组合物可以长期保存，不会变色，抗菌活性也不会降低，而且该组合物可以完全快速地溶解在水中。
• ANTIBACTERIAL COMPOSITION FOR ORAL ADMINISTRATION
  申请人：MEIJI SEIKA KAISHA, LTD.

  公开号：EP0862915A1

  公开（公告）日：1998-09-09

  A new, antibacterial composition for use in oral administration is now provided, which composition comprises a mixture of Cefditoren pivoxyl with a water soluble casein salt. This composition has a reduced bitter taste of Cefditoren pivoxyl and also has improved properties regarding the rate and concentration of dissolution of Cefditoren pivoxyl in water and a ratio of dissolution out of Cefditoren pivoxyl into water. This composition further can attain a high absorbability of the Cefditoren component at the digestive tubes upon oral administration thereof. In this composition, the ratio (by weight) of Cefditoren pivoxyl to the casein salt added may preferably be in a range of 1:0.1 to 1:4. By further addition of a water-soluble polyphosphoric acid salt to the composition, the composition can prevent a ratio of dissolution out into water of the Cefditoren pivoxyl component being decreased when the composition was stored under severe conditions.

  现提供一种用于口服的新型抗菌组合物，该组合物包括头孢妥仑匹酯与水溶性酪蛋白盐的混合物。这种组合物减少了头孢妥仑匹酯的苦味，还提高了头孢妥仑匹酯在水中的溶解速度和浓度，以及头孢妥仑匹酯在水中的溶解比例。这种组合物在口服时，头孢妥仑成分在消化管中的吸收率更高。在这种组合物中，头孢妥仑匹酯与酪蛋白盐的添加比例（按重量计）最好为 1:0.1 至 1:4。通过在组合物中进一步添加水溶性聚磷酸盐，该组合物可以防止头孢妥仑匹酯成分在严酷条件下储存时溶解到水中的比例降低。
• Crystalline substance of cefditoren pivoxyl and the production of the same
  申请人：——

  公开号：US20020002279A1

  公开（公告）日：2002-01-03

  A crystalline substance of Cefditoren pivoxyl is provided which has a high purity and enhanced thermal stability on storage. This crystalline Cefditoren pivoxyl may be prepared by a process comprising a step of dissolving an amorphous form of Cefditoren pivoxyl in an anhydrous, first organic solvent capable of dissolving said amorphous form well therein, and steps of replacing the first organic solvent component of the resulting solution by an anhydrous alkanol of 1 to 5 carbon atoms as a second organic solvent, in such a manner that the firstly prepared solution of Cefditoren pivoxyl in the first organic solvent is mixed with a volume of the alkanol and then is concentrated below 15° C. under reduced pressure, and so on. Thereby, the process proceeds so as to produce a solution containing 50 mg/ml to 250 mg/ml of Cefditoren pivoxyl dissolved in the alkanol alone. From the latter solution, crystals of Cefditoren pivoxyl are induced to deposit by addition of water at a temperature of 0-10° C. The resulting admixture of the concentrated solution of Cefditoren pivoxyl in alkanol with added water and the deposited Cefditoren pivoxyl is then agitated 10° C. or below, to effect a complete crystallization of Cefditoren pivoxyl.

  本发明提供了一种头孢妥仑匹酯的结晶物质，它具有高纯度和更强的贮存热稳定性。这种 Cefditoren pivoxyl 结晶物质的制备方法包括以下步骤：将 Cefditoren pivoxyl 的无定形形式溶解在能够很好地溶解所述无定形形式的无水第一有机溶剂中、用 1 至 5 个碳原子的无水烷醇作为第二有机溶剂，取代所得溶液中的第一有机 溶剂成分，将第一有机溶剂中首次制备的头孢妥仑匹酯溶液与一定体积的烷醇 混合，然后在 15℃以下减压浓缩。然后在减压下浓缩，依此类推。通过这种方法，可以制得一种溶于烷醇中的头孢妥仑匹酯含量为 50 毫克/毫升至 250 毫克/毫升的溶液。在 0-10 摄氏度的温度下加水，使头孢妥仑匹酯的结晶沉淀下来。将头孢妥仑匹酯在烷醇中的浓缩溶液与加水和沉淀的头孢妥仑匹酯混合，然后在 10 摄氏度或更低的温度下搅拌，使头孢妥仑匹酯完全结晶。
• A CRYSTALLINE SUBSTANCE OF CEFDITOREN PIVOXIL AND THE PRODUCTION OF THE SAME
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP0937083B1

  公开（公告）日：2003-04-23
• Amorphous cefditoren pivoxil composition and process for producing the same
  申请人：Meiji Seika Pharma Co., Ltd.

  公开号：EP1389462B1

  公开（公告）日：2012-06-06