5-(3,4-二羟基-1,5-环己二烯-1-基)-5-苯基海因 | 28129-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 5-(3,4-二羟基-1,5-环己二烯-1-基)-5-苯基海因
• 中文别名: 2-乙氧基-2-羰基乙基水杨基&lt邻羟苄基&gt酸酯
• 英文名称: 5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin
• 英文别名: 5-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-5-phenylimidazolidine-2,4-dione
• CAS: 28129-90-0
• 化学式: C₁₅H₁₄N₂O₄
• 分子量: 286.28
• InChiKey: FEEKFEKCXIDMIS-UHFFFAOYSA-N

物化性质

• 熔点：
  291-295 °C (decomp)
• 密度：
  1.467±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  98.7
• 氢给体数：
  4
• 氢受体数：
  4

ADMET

代谢

5-(3,4-二羟基环己烷-1,5-二烯-1-基)-5-苯基咪唑烷-2,4-二酮是苯妥英已知的人体代谢物。

5-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-5-phenylimidazolidine-2,4-dione is a known human metabolite of phenytoin.

来源:NORMAN Suspect List Exchange

文献信息

• Topical pharmaceutical composition containing phenytoin and a (co-) analgesic for the treatment of chronic pain
  申请人：Topical Innovations B.V.

  公开号：US11147799B2

  公开（公告）日：2021-10-19

  This disclosure relates to a pharmaceutical composition for topical use wherein the active pharmaceutical ingredient consists of the co-analgesic phenytoin and at least one further co-analgesic, and a method for producing the pharmaceutical composition. In addition, the disclosure relates to the pharmaceutical composition for use in the treatment of chronic pain.

  本公开涉及一种局部使用的药物组合物，其中的活性药物成分包括共镇痛剂苯妥英和至少另一种共镇痛剂，还涉及一种生产该药物组合物的方法。此外，本发明还涉及用于治疗慢性疼痛的药物组合物。
• Topical phenytoin for use in the treatment of peripheral neuropathic pain
  申请人：Topical Innovations B.V.

  公开号：US11285099B2

  公开（公告）日：2022-03-29

  The present disclosure relates to pharmaceutical compositions containing phenytoin or phenytoin sodium for use in topical pain relief. Use of the pharmaceutical composition of the disclosure reduces peripheral neuropathic pain. The topical pharmaceutical compositions of the disclosure containing phenytoin or phenytoin sodium, surprisingly reduce peripheral neuropathic pain considerably, especially and preferably in the conditions, characterized by a low to moderate grade of peripheral neurogenic inflammation, such as small fiber neuropathy, diabetic neuropathy, chronic idiopathic axonal polyneuropathy, post-herpetic neuralgia, trigeminus neuralgia, chemotherapy induced polyneuropathy, traumatic neuropathies, compression neuropathies, and infectious neuropathies in remission, according to the disclosure.

  本公开涉及用于局部止痛的含有苯妥英或苯妥英钠的药物组合物。使用本公开的药物组合物可以减轻外周神经病理性疼痛。含有苯妥英或苯妥英钠的本公开的外用药物组合物能令人惊讶地显著减轻外周神经病理性疼痛，特别是在以中低度外周神经源性炎症为特征的情况下、根据本发明，这些病症包括小纤维神经病变、糖尿病神经病变、慢性特发性轴索性多发性神经病变、带状疱疹后神经痛、三叉神经痛、化疗诱发的多发性神经病变、创伤性神经病变、压迫性神经病变和缓解期感染性神经病变。
• TOPICAL PHENYTOIN FOR USE IN THE TREATMENT OF PERIPHERAL NEUROPATHIC PAIN
  申请人：TOPICAL INNOVATIONS B.V.

  公开号：EP3551166A1

  公开（公告）日：2019-10-16
• TOPICAL PHARMACEUTICAL COMPOSITION CONTAINING PHENYTOIN AND A (CO -)AN ALGESIC FOR THE TREATMENT OF CHRONIC PAIN
  申请人：TOPICAL INNOVATIONS B.V.

  公开号：EP3551182A1

  公开（公告）日：2019-10-16
• THERAPEUTIC INVENTION
  申请人：KAPOOR Raju

  公开号：US20130005786A1

  公开（公告）日：2013-01-03

  The invention provides a method of treating acute demyelinating optic neuritis in a patient suffering therefrom, which method comprises administering a compound to the patient, wherein the compound is phenytoin or an analog or prodrug thereof. The compound acts as a neuroprotectant by partial blocking of voltage-gated sodium channels in axonal other cell membranes thereby reducing the entry of sodium into the respective cell in vivo. The treatment is particularly concerned with preserving vision after onset of the acute demyelinating optic neuritis.