吗啉乙磺酸钠盐 | 71138-97-1

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 吗啉乙磺酸钠盐
• 中文别名: 醋酸酯化丁二酸氢酯化的纤维素-2-羟基丙基甲基醚；醋酸羟丙甲纤维素琥珀酸酯(HPMCAS)；醋酸羟丙甲纤维素琥珀酸酯；HPMCAS
• 英文名称: Hypromellose acetate succinate
• 英文别名: acetic acid;butanedioic acid;methanol;propane-1,2-diol
• CAS: 71138-97-1
• 化学式: C10H22O9
• 分子量: 286.28
• InChiKey: ZUAAPNNKRHMPKG-UHFFFAOYSA-N

物化性质

• 熔点：
  >203°C (dec.)
• 溶解度：
  Practically insoluble in ethanol (95%), hexane, unbuffered water, and xylene. On the addition of acetone, or a mixture of ethanol (95%) and dichloromethane (1 : 1), a clear or turbid viscous solution is produced. Hypromellose acetate succinate also forms a clear or turbid solution in buffers of pH greater than 4.5 with the rank order of solubility for the various grades increasing with the ratio of acetyl over succinoyl substitution. The exact pH value at which the polymer starts to swell and dissolve depends on the buffer type and ionic strength, although the rank order for the different grades is independent of the buffer used. No solvent has been found to completely dissolve hypromellose acetate succinate polymer; the resulting clear or turbid solutions significantly scatter light in both static and dynamic light scattering experiments, indicating that the polymer may exist as colloids or aggregates. The data is collated from the Shin-Etsu Chemical Co. Ltd and the research work of the authors (R Chen, BC Hancock, and RM Shanker).
• LogP：
  -0.591 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.01
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  173
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  吗啉乙磺酸钠盐 在 乙酸乙酯 、 Acetonitrile ethanol 作用下， 以 乙酸乙酯 为溶剂， 反应 16.0h， 生成 鞣花酸
  参考文献：
  名称：

  CELLULOSE DERIVATIVES FOR INHIBITING CRYSTALLIZATION OF POORLY WATER-SOLUBLE DRUGS

  摘要：

  提供了对于抑制药物溶液结晶有用的纤维素酯。具体的聚合物包括式I的纤维素酯：其中ω-羧基烷酰基团的n为3、4、6或8，以提供从琥珀酰基、戊二酰基、己二酰基、癸二酰基和壬二酰基羧基烷酰基中选择的ω-羧基烷酰基；R从氢原子和从乙酰基、丙酰基、丁酰基、戊酰基、己酰基、壬酰基、癸酰基、月桂酰基、棕榈酰基和硬脂酰基羧酸基中选择的脂肪酰基中选择；其中脂肪酰基和ω-羧基烷酰基的总取代度至少为2.0；聚合物包括m个重复单元，其中n为1至1,000,000、10至100,000或100至1,000，例如1至6,000。实施例还包括包含纤维素酯和难溶于水的药物的组合物，该组合物在溶液中与药物单独相比表现出更高的溶解度和稳定性。

  公开号：

  US20150004237A1
• 作为产物：
  描述：

  丁二酸酐 、 乙酸酐 反应 120.0h， 生成 吗啉乙磺酸钠盐
  参考文献：
  名称：

  Pharmaceutical Compositions With Enhanced Performance

  摘要：

  本发明涉及羟丙基甲基纤维素乙酸琥珀酸酯（HPMCAS）和羟丙基甲基纤维素乙酸酯（HPMCA）的聚合物，其羟丙氧基，甲氧基，乙酰基和琥珀酰基取代度独特。当用于制备包含低溶解度药物和这些聚合物的组合物时，这些聚合物提供了增强的水溶液浓度和/或改善的物理稳定性。

  公开号：

  US20080262107A1

文献信息

• Pharmaceutical Compositions With Enhanced Performance
  申请人：Babcock Walter C.

  公开号：US20080262107A1

  公开（公告）日：2008-10-23

  Disclosed are polymers of hydroxypropyl methyl cellulose acetate succinate (HPMCAS) and hydroxypropyl methyl cellulose acetate (HPMCA) with unique degrees of substitution of hydroxypropoxy, methoxy, acetyl, and succinoyl groups. When used in making compositions comprising a low-solubility drug and such polymers, the polymers provide enhanced aqueous concentrations and/or improved physical stability.

  本发明涉及羟丙基甲基纤维素乙酸琥珀酸酯（HPMCAS）和羟丙基甲基纤维素乙酸酯（HPMCA）的聚合物，其羟丙氧基，甲氧基，乙酰基和琥珀酰基取代度独特。当用于制备包含低溶解度药物和这些聚合物的组合物时，这些聚合物提供了增强的水溶液浓度和/或改善的物理稳定性。
• NANOPARTICLES COMPRISING IONIZABLE, POORLY WATER SOLUBLE CELLULOSIC POLYMERS
  申请人：Bloom Corey Jay

  公开号：US20100215747A1

  公开（公告）日：2010-08-26

  A pharmaceutical composition comprises nanoparticles comprising ionizable, poorly water soluble cellulosic polymers.

  一种药物组合物包括含有可离子化、难溶于水的纤维素聚合物的纳米粒子。
• PHARMACEUTICAL COMPOSITIONS WITH ENHANCED PERFORMANCE
  申请人：Babcock Walter C.

  公开号：US20120264833A1

  公开（公告）日：2012-10-18

  Disclosed are polymers of hydroxypropyl methyl cellulose acetate succinate (HPMCAS) and hydroxypropyl methyl cellulose acetate (HPMCA) with unique degrees of substitution of hydroxypropoxy, methoxy, acetyl, and succinoyl groups. When used in making compositions comprising a low-solubility drug and such polymers, the polymers provide enhanced aqueous concentrations and/or improved physical stability.

  本发明涉及羟丙基甲基纤维素醋酸琥珀酸酯(HPMCAS)和羟丙基甲基纤维素醋酸酯(HPMCA)的聚合物，其羟丙氧基、甲氧基、乙酰基和琥珀酰基取代度独特。当用于制备含低溶解度药物和上述聚合物的组合物时，聚合物提供了增强的水溶液浓度和/或改善的物理稳定性。
• NOVEL HYDROXYALKYL METHYL CELLULOSE ACETATE SUCCINATES
  申请人：Dow Global Technologies LLC

  公开号：US20150218198A1

  公开（公告）日：2015-08-06

  Novel hydroxyalkyl methyl cellulose acetate succinates which a) have from 4.0 to less than 10.0 weight percent of succinoyl groups, b) have a weight average molecular weight M w of from 80,000 Dalton to 350,000 Dalton, and c) exhibit a turbidity of up to 41 NTU as a 1.5 weight percent solution in acetone; and novel hydroxyalkyl methyl cellulose acetate succinates which a) have from 10.0 to 20.0 weight percent of succinoyl groups, b) have a weight average molecular weight M w of from 80,000 Dalton to 350,000 Dalton, and c) exhibit a turbidity of up to 37 NTU as a 1.5 weight percent solution in acetone are useful for preparing solid dispersion of active ingredients in these hydroxyalkyl methyl cellulose acetate succinates.

  新型羟基烷基甲基纤维素醋酸琥珀酸酯，其a）具有4.0至少于10.0重量百分比的琥珀酰基，b）具有80,000道尔顿至350,000道尔顿的重量平均分子量Mw，c）在1.5重量百分比的丙酮溶液中呈现出高达41 NTU的浑浊度；以及新型羟基烷基甲基纤维素醋酸琥珀酸酯，其a）具有10.0至20.0重量百分比的琥珀酰基，b）具有80,000道尔顿至350,000道尔顿的重量平均分子量Mw，c）在1.5重量百分比的丙酮溶液中呈现出高达37 NTU的浑浊度，可用于制备这些羟基烷基甲基纤维素醋酸琥珀酸酯中活性成分的固体分散体。
• COMPOSITION FOR HOT MELT EXTRUSION AND METHOD FOR PRODUCING HOT MELT EXTRUDATE BY USING SAME
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20160095928A1

  公开（公告）日：2016-04-07

  Provided is a composition for hot melt extrusion including a drug and hypromellose acetate succinate (HPMCAS) having a hydroxypropoxy molar substitution of 0.40 or more and a mole ratio of an acetyl group to a succinyl group of less than 1.6. Further, provided is a method for producing a hot melt extrudate including the step of hot melt-extruding a composition for hot melt extrusion including a drug and hypromellose acetate succinate having a molar hydroxypropoxy substitution of 0.40 or more and a mole ratio of an acetyl group to a succinyl group of less than 1.6, at a hot melt temperature of not lower than a melting temperature of the hypromellose acetate succinate or of not lower than a temperature at which both the hypromellose acetate succinate and the drug are melted.

  提供了一种用于热熔挤出的组合物，其中包括一种药物和羟丙基甲基纤维素醋酸琥珀酸酯（HPMCAS），其羟丙氧基摩尔取代度为0.40或更高，乙酰基与琥珀酰基的摩尔比小于1.6。此外，提供了一种制备热熔挤出物的方法，其中包括热熔挤出一种组合物，该组合物包括一种药物和羟丙基甲基纤维素醋酸琥珀酸酯，其羟丙氧基摩尔取代度为0.40或更高，乙酰基与琥珀酰基的摩尔比小于1.6，在不低于羟丙基甲基纤维素醋酸琥珀酸酯熔点或两者均熔化的温度下进行热熔挤出。