carbamazepine-nicotinamide 1:1 cocrystal | 572916-56-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: carbamazepine-nicotinamide 1:1 cocrystal
• 英文别名: carbamazepine-nicotinamide；carbamazepine/nicotinamide (1:1 stoichiometry)；Carbamazepine nicotinamide；benzo[b][1]benzazepine-11-carboxamide;pyridine-3-carboxamide
• CAS: 572916-56-4
• 化学式: C₆H₆N₂O*C₁₅H₁₂N₂O
• 分子量: 358.4
• InChiKey: WVYZGCGXFKMMAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.57
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  卡马西平 、 烟酰胺 以 甲醇 为溶剂， 生成 carbamazepine-nicotinamide 1:1 cocrystal
  参考文献：
  名称：

  SpeedMixing：无需研磨或研磨介质即可快速摩擦化学合成和发现药物共晶体**

  摘要：

  据报道，使用 SpeedMixing（一种快速混合技术）进行快速且可扩展的合成和发现药物共晶体，无需使用本体溶剂或研磨介质。SpeedMixing 允许选择性合成共晶多晶型物、化学晶型物，并揭示了卡马西平和糖精的原型药物共晶的第一个溶剂化物，尽管经过 20 年的研究和筛选，这仍然是未知的。

  DOI：

  10.1002/anie.202206293

文献信息

• Multiple-component solid phases containing at least one active pharmaceutical ingredient
  申请人：——

  公开号：US20030224006A1

  公开（公告）日：2003-12-04

  The subject invention concerns a method for identifying complementary chemical functionalities to form a desired supramolecular synthon. The subject invention also pertains to multiple-component phase compositions comprising one or more pharmaceutical entities and methods for producing such compositions.

  本发明的主题涉及一种用于识别形成所需超分子合成子的互补化学功能的方法。本发明还涉及包含一个或多个药物实体的多组分相组合物以及生产这种组合物的方法。
• METHOD AND PRODUCT
  申请人：Paradkar Anant

  公开号：US20110177136A1

  公开（公告）日：2011-07-21

  The present invention provides a method of producing a co-crystal, the method comprising the steps of providing a first substance and a second substance, wherein the first and second substances are compatible to form a co-crystal, mixing said first and second substances together, and exposing the mixture of said first and second substances to prolonged and sustained conditions of pressure and shear, sufficient to form a co-crystal of said first and second substance. The prolonged and sustained conditions of pressure and shear are preferably applied in an extrusion process. Associated compositions and uses thereof are also provided.

  本发明提供了一种生产共晶的方法，该方法包括以下步骤：提供第一物质和第二物质，其中第一和第二物质相容以形成共晶，将所述第一和第二物质混合在一起，并将所述第一和第二物质的混合物暴露在长时间和持续的压力和剪切条件下，足以形成所述第一和第二物质的共晶。长时间和持续的压力和剪切条件最好是在挤压过程中施加的。还提供了相关的组合物和用途。
• Reaction co-crystallization of molecular complexes or co-crystals
  申请人：Rodriguez-Hornedo Nair

  公开号：US20070099237A1

  公开（公告）日：2007-05-03

  Multi-component crystals (co-crystals) are prepared by combining co-crystal components in non-stoichiometric concentrations in solution. The solubility of the molecular complex in the solvent is reduced, increasing the probability that the molecular complex is the least soluble form in the system, upon which it precipitates. A crystalline product is produced without the need for grinding, solvent evaporation, or temperature variation.

  多组分晶体（协晶体）是通过在溶液中以非化学计量浓度结合协晶组分来制备的。溶剂中分子复合物的溶解度降低，增加了分子复合物是系统中最不溶性形式的概率，从而沉淀出来。产生了结晶产品，无需研磨、溶剂蒸发或温度变化。
• [EN] METHODS FOR MAKING ACTIVE CRYSTALLINE MATERIALS<br/>[FR] PROCÉDÉS DE FABRICATION DE SUBSTANCES CRISTALLINES ACTIVES
  申请人：CT FOR PROCESS INNOVATION LTD

  公开号：WO2014091226A1

  公开（公告）日：2014-06-19

  The present invention relates to an active crystalline material, especially an active multicomponent crystalline material such as a salt or a cocrystal, which may be made by dispersing precursor components of the active crystalline material in a liquid medium which comprises an anti-solvent, maintaining the dispersion for a period during which the active crystalline material is formed, and, during said period, exposing the dispersion to a solvent, which solvent being present in the liquid medium in a minor proportion by weight thereof.

  本发明涉及一种活性结晶材料，特别是一种活性多组分结晶材料，如盐或共晶，可以通过将活性结晶材料的前体组分分散在包含抗溶剂的液体介质中制备，保持分散一段时间，使活性结晶材料形成，并在该期间将分散物暴露给溶剂，该溶剂以液体介质中的重量少量存在。
• [EN] SYNTHESIS AND PARTICLE ENGINEERING OF COCRYSTALS<br/>[FR] SYNTHÈSE ET INGÉNIERIE DE PARTICULES DE COCRISTAUX
  申请人：HOVIONE INT LTD

  公开号：WO2015036799A1

  公开（公告）日：2015-03-19

  The present invention discloses a scalable and solvent-free method to produce cocrystals in a particulate form. A method of making cocrystals comprises the steps of: a) feeding a molten mixture of at least a first substance and a second substance which are able to form cocrystals to an atomizer; b) atomizing the molten mixture to droplets; c) solidifying the droplets to particles; d) collecting the said particles. The invention also provides the use of cocrystals made according to the method of the invention in the formulation of a pharmaceutical composition. The invention also provides cocrystals obtainable or obtained by the method of the present invention, in particular cocrystals in the form of particles. Also provided is a pharmaceutical composition comprising cocrystals made according to the method of the invention, in particular, a pharmaceutical composition comprising cocrystals in the form of particles made according to the method of the invention.

  本发明公开了一种可扩展且无溶剂的方法，用于以颗粒形式制备共晶体。制备共晶体的方法包括以下步骤：a)将至少一种能够形成共晶体的第一物质和第二物质的熔融混合物送入雾化器；b)将熔融混合物雾化成液滴；c)将液滴固化成颗粒；d)收集所述颗粒。本发明还提供了根据本发明方法制备的共晶体在制药组合物中的应用。本发明还提供了根据本发明方法获得或获得的共晶体，特别是颗粒形式的共晶体。还提供了一种包括根据本发明方法制备的共晶体的制药组合物，特别是包括根据本发明方法制备的颗粒形式的共晶体的制药组合物。