丁巴比妥 | 77-28-1

• 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: 丁巴比妥
• 英文名称: butobarbitone
• 英文别名: Butobarbital；5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione；5-ethyl-5-n-butylbarbituric acid；5-n-butyl-5-ethylbarbituric acid；5-butyl-5-ethyl barbituric acid；5-butyl-5-ethyl-barbituric acid；Butethal
• CAS: 77-28-1
• 化学式: C₁₀H₁₆N₂O₃
• 分子量: 212.249
• InChiKey: STDBAQMTJLUMFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  75.3
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

代谢

肝脏的。

Hepatic.

来源:DrugBank

代谢

肝的。 半衰期：37小时

Hepatic. Half Life: 37 hours

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

Butethal 结合在一个与 GABA_A 受体上的 Cl^- 离子通道相关联的独特结合位点，增加了 Cl^- 离子通道开启的时间长度。因此，GABA 在丘脑中的突触后抑制效应被延长。所有这些效应都与 GABA 敏感神经元钙离子电导（gCa）的显著降低相关。巴比妥类药物作用的净结果是急性增强抑制性的 GABAergic 调控。巴比妥类药物还通过强烈（尽管不太明确的）和直接抑制兴奋性 AMPA 型谷氨酸受体发挥作用，导致谷氨酸能神经传递的深刻抑制。

Butethal binds at a distinct binding site associated with a Cl^- ionopore at the GABA_A receptor, increasing the duration of time for which the Cl^- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission.

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

他们会导致言语不清、定向障碍和“醉酒”行为。它们在身体和心理上具有成瘾性。他们会导致言语不清、定向障碍和“醉酒”行为。它们在身体和心理上具有成瘾性。

They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive. They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive.

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服给药后迅速吸收。肠道外给药（腹膜内注射或输注）。

Rapidly absorbed following oral administration. Parenteral (intraperitroneal injection or infusion).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

过量迹象包括严重混乱、反射减少或丧失、严重嗜睡、发热、持续易怒、体温过低、判断力差、呼吸急促或缓慢困难、心跳缓慢、言语不清、蹒跚、睡眠困难、眼睛异常运动、严重虚弱。

Signs of overdose include confusion (severe), decrease in or loss of reflexes, drowsiness (severe), fever, irritability (continuing), low body temperature, poor judgment, shortness of breath or slow or troubled breathing, slow heartbeat, slurred speech, staggering, trouble in sleeping, unusual movements of the eyes, weakness (severe).

来源:Toxin and Toxin Target Database (T3DB)

吸收、分配和排泄

• 吸收

口服给药后迅速吸收。

Rapidly absorbed following oral administration.

来源:DrugBank

制备方法与用途

制备方法：用于生化研究和医药镇静剂。

用途简介： 暂无具体内容。

用途： 用于生化研究和医药镇静剂。

反应信息

• 作为反应物：
  描述：

  丁巴比妥 在 氨 作用下， 生成 2-乙基己酰胺
  参考文献：
  名称：

  Hydrolysis of 5,5-Disubstituted Barbituric Acids

  摘要：

  DOI：

  10.1021/jo01060a048
• 作为产物：
  描述：

  正丁基丙二酸二乙酯 在 sodium ethanolate 作用下， 生成 丁巴比妥
  参考文献：
  名称：

  Dox; Yoder, Journal of the American Chemical Society, 1922, vol. 44, p. 1579

  摘要：

  DOI：

文献信息

• [EN] S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES<br/>[FR] COMPOSÉS DE S-NITROSOMERCAPTO ET DÉRIVÉS APPARENTÉS
  申请人：GALLEON PHARMACEUTICALS INC

  公开号：WO2009151744A1

  公开（公告）日：2009-12-17

  The present invention is directed to mercapto-based and S- nitrosomercapto-based SNO compounds and their derivatives, and their use in treating a lack of normal breathing control, including the treatment of apnea and hypoventilation associated with sleep, obesity, certain medicines and other medical conditions.

  本发明涉及基于巯基和S-亚硝基巯基的SNO化合物及其衍生物，以及它们在治疗正常呼吸控制缺失方面的用途，包括治疗与睡眠、肥胖、某些药物和其他医疗状况相关的呼吸暂停和低通气。
• GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS
  申请人：South Dakota Board of Regents

  公开号：US20200048305A1

  公开（公告）日：2020-02-13

  The present invention describes compositions containing cholesterol-linker-glutathione conjugates for targeting the brain by overcoming barrier entry to the CNS through the blood brain barrier (BBB), including micelle and liposome forms of such compositions. In addition, methods for treating subjects by administering such compositions are also disclosed.

  本发明描述了含有胆固醇-连接剂-谷胱甘肽共轭物的组合物，通过克服血脑屏障（BBB）进入中枢神经系统的屏障入口，包括这些组合物的胶束和脂质体形式。此外，还公开了通过给予这些组合物治疗受试者的方法。
• Analgesic Compounds, Compositions, and Uses Thereof
  申请人：Mannion James C.

  公开号：US20110224269A1

  公开（公告）日：2011-09-15

  The invention relates to compounds, compositions, and methods for diminishing pain in a subject in need thereof comprising administering the compounds and compositions herein described.

  这项发明涉及化合物、组合物和方法，用于减轻需要的受试者的疼痛，包括给予所述的化合物和组合物。
• [EN] SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF<br/>[FR] PIPÉRIDINES SUBSTITUÉES QUI ACCROISSENT L'ACTIVITÉ DE P53, ET UTILISATIONS DE CES COMPOSÉS
  申请人：SCHERING CORP

  公开号：WO2011046771A1

  公开（公告）日：2011-04-21

  The present invention provides a compound of Formula (1) as described herein or a pharmaceutically acceptable salt, solvate or ester thereof. The compounds are useful as inhibitors of the HDM2 protein. Also disclosed are pharmaceutical compositions comprising the above compounds and methods of treating cancer using the same.

  本发明提供了如下所述的化合物的化学式（1）或其药学上可接受的盐、溶剂合物或酯。这些化合物可用作HDM2蛋白的抑制剂。还公开了包含上述化合物的药物组合物以及使用它们治疗癌症的方法。
• Hydroxylated nebivolol metabolites
  申请人：O'Donnell P. John

  公开号：US20070014733A1

  公开（公告）日：2007-01-18

  Hydroxylated nebivolol metabolites increase NO release from human endothelial cell preparations in a concentration dependent fashion following acute administration. In addition, hydroxylated nebivolol metabolites, including but not limited to 4-hydroxy-6,6′difluoro-, 4-hydroxy-5-phenol-6,6′difluoro-, and 4-hydroxy-8-pheno-6,6′difluoro-, have the ability to increase the capacity for NO release in human endothelial cells following chronic administration. This invention provides hydroxylated nebivolol metabolites and compositions comprising nebivolol and/or at least one hydroxylated metabolite of nebivolol and/or at least one additional compound used to treat cardiovascular diseases or a pharmaceutically acceptable salt thereof. In addition, this invention provides methods of treating and/or preventing vascular diseases by administering at least one hydroxylated metabolite of nebivolol that is capable of releasing a therapeutically effective amount of nitric oxide to a targeted site affected by the vascular disease. Also, this invention is directed to the treatment and/or prevention of migraine headaches administering at least one hydroxylated metabolite of nebivolol. This invention may also be used in conjunction with or as a single treatment of metabolic syndrome disorders.

  羟基化奈必洛尔代谢物在急性给药后以浓度依赖性方式增加人内皮细胞制剂的一氧化氮释放。此外，羟基化奈必洛尔代谢物，包括但不限于4-羟基-6,6'-二氟代-、4-羟基-5-苯酚-6,6'-二氟代-和4-羟基-8-苯并-6,6'-二氟代-，在慢性给药后能够增加人内皮细胞的一氧化氮释放能力。本发明提供了羟基化奈必洛尔代谢物和包含奈必洛尔和/或至少一种羟基化奈必洛尔代谢物和/或至少一种用于治疗心血管疾病的附加化合物的组合物，以及可药用的盐。此外，本发明还提供了通过给药至少一种能够释放治疗有效量的一氧化氮到受血管疾病影响的靶向部位的羟基化奈必洛尔代谢物来治疗和/或预防血管疾病的方法。本发明还涉及通过给药至少一种羟基化奈必洛尔代谢物来治疗和/或预防偏头痛。本发明还可以与治疗代谢综合征障碍的其他治疗联合使用，或作为单一治疗。

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