苯巴氨酯 | 15687-09-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 苯巴氨酯
• 中文别名: 双醚酯苯巴比妥；苯巴双氨酯
• 英文名称: N,N'-di-(2-carbamoyloxy-3-butoxypropyl) phenobarbital
• 英文别名: difebarbamate；[1-butoxy-3-[3-(3-butoxy-2-carbamoyloxypropyl)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]propan-2-yl] carbamate
• CAS: 15687-09-9
• 化学式: C₂₈H₄₂N₄O₉
• 分子量: 578.663
• InChiKey: GJJRIOLBUILIGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  41
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  181
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  phenobartital sodium 在 aluminum oxide 、 苄基三乙基氯化铵 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 苯巴氨酯
  参考文献：
  名称：

  N-Alkylation of Phenobarbital Under Phase-Transfer Catalysis Conditions

  摘要：

  This communication describes a convenient procedure for the preparation of alkylated derivatives of phenobarbital using phase-transfer catalysis without solvent conditions.

  DOI：

  10.1080/00397919308018596

文献信息

• Abuse-deterrent pharmaceutical compositions of opiods and other drugs
  申请人：Collegium Pharmaceuticals, Inc.

  公开号：US20040052731A1

  公开（公告）日：2004-03-18

  An abuse-deterrent pharmaceutical composition has been developed to reduce the likelihood of improper administration of drugs, especially drugs such as opiods. In the preferred embodiment, a drug is modified to increase its lipophilicity. In preferred embodiments the modified drug is homogeneously dispersed within microparticles composed of a material that is either slowly soluble or not soluble in water. In some embodiments the drug containing microparticles or drug particles are coated with one or more coating layers, where at least one coating is water insoluble and preferably organic solvent insoluble, but enzymatically degradable by enzymes present in the human gastrointestinal tract. The abuse-deterrent composition retards the release of drug, even if the physical integrity of the formulation is compromised (for example, by chopping with a blade or crushing) and the resulting material is placed in water, snorted, or swallowed. However, when administered as directed, the drug is slowly released from the composition as the composition is broken down or dissolved gradually within the GI tract by a combination of enzymatic degradation, surfactant action of bile acids, and mechanical erosion.

  已经开发了一种滥用抑制药物组合物，旨在降低药物的不当使用的可能性，特别是像阿片类药物这样的药物。在优选实施例中，药物被改性以增加其亲脂性。在优选实施例中，改性药物均匀分散在由缓慢溶解或不溶于水的材料组成的微粒中。在某些实施例中，含药微粒或药物颗粒被涂覆上一层或多层涂层，其中至少一层涂层是不溶于水且最好是有机溶剂不溶性的，但可被人类胃肠道中存在的酶降解。即使该组合物的物理完整性被破坏（例如通过切割或压碎）， resulting material仍然被放入水中、吸入或吞咽，该滥用抑制组合物也会延缓药物的释放。然而，当按照指示使用时，药物会缓慢地从组合物中释放出来，因为组合物会逐渐被酶降解、胆汁酸的表面活性作用和机械侵蚀逐渐破坏或溶解在胃肠道内。
• Diagnostic/therapeutic agents
  申请人：Klaveness Jo

  公开号：US20050002865A1

  公开（公告）日：2005-01-06

  Targetable diagnostic and/or therapeutically active agents, e.g. ultrasound contrast agents, comprising a suspension in an aqueous carrier liquid of a reporter comprising gas-containing or gas-generating material, said agent being capable of forming at least two types of binding pairs with a target.

  可定位的诊断和/或治疗活性剂，例如超声对比剂，包括悬浮在水载体液中的报告物，该报告物包含含气体或生成气体的材料，该剂能够与目标形成至少两种结合对。
• Pharmaceutical compositions for prevention of overdose or abuse
  申请人：Mickle Travis

  公开号：US20060014697A1

  公开（公告）日：2006-01-19

  The invention relates to pharmaceutical compositions comprised of a chemical moiety attached to an active agent in a manner that substantially decreases the potential of the active agent to cause overdose or to be abused. When delivered at the proper dosage the pharmaceutical composition provides therapeutic activity similar to that of the parent active agent.

  本发明涉及制药组合物，其中化学基团连接到活性剂上，以大大降低活性剂引起过量或被滥用的潜力。当以适当剂量给予时，该制药组合物提供与母体活性剂类似的治疗活性。
• ABUSE-DETERRENT PHARMACEUTICAL COMPOSITIONS OF OPIOIDS AND OTHER DRUGS
  申请人：Hirsh Jane

  公开号：US20080199530A1

  公开（公告）日：2008-08-21

  An abuse-deterrent pharmaceutical composition has been developed to reduce the likelihood of improper administration of drugs, especially drugs such as opiods. In the preferred embodiment, a drug is modified to increase its lipophilicity. In preferred embodiments the modified drug is homogeneously dispersed within microparticles composed of a material that is either slowly soluble or not soluble in water. In some embodiments the drug containing microparticles or drug particles are coated with one or more coating layers, where at least one coating is water insoluble and preferably organic solvent insoluble, but enzymatically degradable by enzymes present in the human gastrointestinal tract. The abuse-deterrent composition retards the release of drug, even if the physical integrity of the formulation is compromised (for example, by chopping with a blade or crushing) and the resulting material is placed in water, snorted, or swallowed. However, when administered as directed, the drug is slowly released from the composition as the composition is broken down or dissolved gradually within the GI tract by a combination of enzymatic degradation, surfactant action of bile acids, and mechanical erosion.

  一种抗滥用药物组合物已经开发出来，旨在减少药物不正确的使用，特别是像阿片类药物这样的药物。在首选实施例中，药物被改性以增加其亲脂性。在优选实施例中，修改后的药物均匀分散在由一种缓慢溶解或不溶于水的材料组成的微粒中。在某些实施例中，含药微粒或药物颗粒被包裹在一个或多个包衣层中，其中至少一个包衣是不溶于水且最好是不溶于有机溶剂，但可被人类胃肠道中存在的酶降解。这种抗滥用组合物即使配方的物理完整性被破坏（例如通过切割或粉碎），并且所得到的物料被放入水中、鼻吸或吞咽，也能延缓药物的释放。然而，当按指示使用时，药物会随着组合物在胃肠道内逐渐分解或溶解而缓慢释放，通过酶降解、胆汁酸的表面活性作用和机械侵蚀的组合作用。
• PHARMACEUTICAL COMPOSITIONS FOR PREVENTION OF OVERDOSE OR ABUSE
  申请人：MICKLE TRAVIS

  公开号：US20110046226A1

  公开（公告）日：2011-02-24

  The invention relates to pharmaceutical compositions comprised of a chemical moiety attached to an active agent in a manner that substantially decreases the potential of the active agent to cause overdose or to be abused. When delivered at the proper dosage the pharmaceutical composition provides therapeutic activity similar to that of the parent active agent.

  本发明涉及药物组合物，其中化学基团与活性成分以一种方式连接，从而大大降低了活性成分引起过量或被滥用的潜力。当以适当剂量给药时，该药物组合物提供与原始活性成分类似的治疗活性。