己酰胆碱 | 16639-00-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 己酰胆碱
• 英文名称: choline hexanoate
• 英文别名: O-hexanoyl-choline；O-Hexanoyl-cholin；Trimethyl-(2-caproyloxy-aethyl)-ammonium；Capronsaeure-cholinester；O-Caproyl-cholin；Hexanoylcholin；Hexanoylcholine；2-hexanoyloxyethyl(trimethyl)azanium
• CAS: 16639-00-2
• 化学式: C₁₁H₂₄NO₂
• 分子量: 202.317
• InChiKey: FKJUAGXPCITGLZ-UHFFFAOYSA-N

物化性质

• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  胆碱 、 己酸 反应 12.0h， 生成 己酰胆碱
  参考文献：
  名称：

  了解分子限制内质子和非质子离子液体的微分相互作用

  摘要：

  考虑到无水反胶束（RM）在有机反应介质和潜在的药物传递载体领域的当代兴趣，我们合成了两种不同类型的离子液体（ILs），质子N-甲基-2-吡咯烷鎓己酸酯，[NMP] [Hex]和质子惰性胆碱己酸酯，[Chl] [Hex]，随后将它们掺入聚氧乙烯（20）脱水山梨醇单油酸酯（Tween-80）和环己烷的混合物中。为了了解两个IL的离子间相互作用的差异性，我们对纯IL进行了DFT计算，以与实验结果相关。通过相行为和DLS研究证实了油中IL-RM的形成。有趣的是，与基于[Chl] [Hex]的系统相比，基于[NMP] [Hex]的系统显示出更大的单相区域和液滴尺寸以及更高的剪切粘度。[NMP] +和Tween-80之间的质子性质，使其更强的相互作用可能是支持共振稳定能量[ E的此类观察的驱动力。（2） ]和通过NBO计算进行收费人口分析。与[Chl] [Hex]相比，纯[NMP] [Hex]中与H键相关的原子具有较小的E

  DOI：

  10.1021/acs.jpcb.7b07945

文献信息

• Sustained release pharmaceutical compositions
  申请人：Zhang Yongfeng Jack

  公开号：US20070154546A1

  公开（公告）日：2007-07-05

  The present invention relates to a pharmaceutical composition comprising a salt of quaternary ammonium of an acid drug in the form of a suspension or an emulsion, suitable for parenteral administration and providing a sustained release of the drug. In one preferred embodiment, the present invention is directed to a long term sustained release composition for parenteral administration, comprising a salt of heparin or low molecular weight heparin in an emulsion with a salt of acylcholine, for the prevention and treatment of venous thrombosis and pulmonary embolism.

  本发明涉及一种制药组合物，包括酸性药物的季铵盐，其以悬浮液或乳状液的形式适用于肌内给药，并提供药物的持续释放。在一个优选实施例中，本发明涉及一种用于肌内给药的长期持续释放组合物，包括肝素盐或低分子量肝素与乙酰胆碱盐的乳状液，用于预防和治疗静脉血栓和肺栓塞。
• [EN] TOPICAL FORMULATIONS BASED ON IONIC SPECIES FOR SKIN TREATMENT<br/>[FR] FORMULATIONS TOPIQUES A BASE D'ESPÈCES IONIQUES POUR LE TRAITEMENT DE LA PEAU
  申请人：UNIV CALIFORNIA

  公开号：WO2018044920A1

  公开（公告）日：2018-03-08

  Compositions containing a complex that contains a cation with alkyl chains and a macromolecule anion, and methods of making and using are disclosed. The compositions are typically charge neutral and a liquid at room temperature and standard pressure. The macromolecule anions may be nucleic acids, peptides, proteins, and/or carbohydrates. The compositions have enhanced penetration across the skin barrier (stratum corneum) and into the skin cells, delivering the macromolecules to the skin cells. The compositions are topically applied to the skin and are particularly useful for treatment of skin conditions.

  本发明揭示了含有含有烷基链阳离子和大分子阴离子的复合物的组合物及其制备和使用方法。这些组合物通常是电中性的，且在常温和标准压力下呈液态。大分子阴离子可以是核酸、肽、蛋白质和/或碳水化合物。这些组合物可以增强穿透皮肤屏障（角质层）并进入皮肤细胞，将大分子输送到皮肤细胞中。这些组合物可局部应用于皮肤，尤其适用于治疗皮肤状况。
• NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY
  申请人：Linder Charles

  公开号：US20120164072A1

  公开（公告）日：2012-06-28

  Nano-sized particles are provided comprising at least one multi-headed amphiphilic compound, in which at least one headgroup of said multi-headed amphiphilic compound is selectively cleavable or contains a selectively cleavable group, and at least one biologically active agent, which is both encapsulated within the nano-particle and non-covalently associated thereto.

  提供了一种纳米级颗粒，其中包含至少一种多头亲疏水化合物，其中至少一个头基团是可选择性断裂的或含有可选择性断裂基团，并且至少一种生物活性剂被封装在纳米粒子内并与其非共价结合。
• IONIC LIQUIDS FOR TRANSDERMAL DRUG DELIVERY
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20160263225A1

  公开（公告）日：2016-09-15

  The compositions and methods described herein are topically applied to the skin with negligible or no skin irritation and can direct or prevent transport through the skin. The compositions contain neat ionic liquids, optionally in combination with a drug to be delivered. In a preferred embodiment, the compositions increase transdermal transport of the drug to be delivered. In some embodiments, the compositions disrupt bacterial biofilms. This is particularly beneficial in the treatment of antibiotic resistant skin infections. In other embodiments, the compositions direct delivery within the skin. In still other embodiments, the compositions prevent transfer of substances through the stratum corneum. The disclosed compositions and methods can be tuned and modified such that they can be used to treat or prevent a variety of different diseases and disorders.

  本文所描述的组合物和方法可通过局部涂抹于皮肤上，对皮肤刺激微乎其微或无刺激作用，并可直接或预防通过皮肤的物质传输。该组合物包含纯离子液体，可选地与待传递的药物结合使用。在一种优选实施例中，该组合物可增加待传递药物的经皮传输。在某些实施例中，该组合物可破坏细菌生物膜。这在抗生素耐药性皮肤感染的治疗中特别有益。在其他实施例中，该组合物可直接在皮肤内传递。在另一些实施例中，该组合物可防止物质通过角质层的传输。所公开的组合物和方法可进行调整和修改，以便用于治疗或预防各种不同的疾病和障碍。
• Choline esters as absorption-enhancing agents for drug delivery through mucous membranes of the nasal, buccal, sublingual and vaginal cavities
  申请人：Merck & Co., Inc.

  公开号：EP0214898A2

  公开（公告）日：1987-03-18

  Choline esters are used as drug absorption enhancing agents for drugs which are poorly absorbed from the nasal, oral, and vaginal cavities.

  胆碱酯可作为药物吸收促进剂，用于促进鼻腔、口腔和阴道吸收不良的药物。