4-acetoxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one | 5979-00-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4-acetoxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
• 英文别名: 4-acetoxy-3-(3-oxo-1-phenyl-butyl)-coumarin；4-Acetoxy-3-(3-oxo-1-phenyl-butyl)-cumarin；Warfarin acetate；[2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-yl] acetate
• CAS: 5979-00-0
• 化学式: C₂₁H₁₈O₅
• 分子量: 350.371
• InChiKey: AZJMOTKZYSVMRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  高氯酸 、 4-acetoxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one 、 乙酸酐 生成 外消旋-2-甲基-4-苯基-4H-吡喃并[3,2-c]苯并吡喃-5-酮
  参考文献：
  名称：

  Studies on 4-Hydroxycoumarins. X. Acylation of 3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin¹

  摘要：

  DOI：

  10.1021/ja01167a113
• 作为产物：
  描述：

  苄叉丙酮 在 哌啶 、 1,4-二氧六环 作用下， 生成 4-acetoxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
  参考文献：
  名称：

  Studies on 4-Hydroxycoumarins. X. Acylation of 3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin¹

  摘要：

  DOI：

  10.1021/ja01167a113

文献信息

• Transdermal warfarin system
  申请人：Gale M. Robert

  公开号：US20050025818A1

  公开（公告）日：2005-02-03

  Composition of matter for application to a body surface or membrane to administer warfarin by permeation through the body surface or membrane, the composition comprising warfarin to be administered, at a therapeutically effective rate, alone or in combination with a permeation enhancer or mixture. Also disclosed are drug delivery devices containing the warfarin or warfarin and enhancer composition and methods for the transdermal administration of the warfarin and warfarin/enhancer composition.

  应用于体表或体膜以通过体表或体膜渗透给药华法林的物质组合物，该组合物包含以治疗有效率单独或与渗透增强剂或混合物结合给药的华法林。还公开了含有华法林或华法林和增强剂组合物的给药装置以及华法林和华法林/增强剂组合物的透皮给药方法。
• Synthesis, toxicological and pharmacological assessment of some 4-hydroxycoumarin derivatives
  作者：I Manolov、ND Danchev

  DOI：10.1016/0223-5234(96)88266-3

  日期：1995.1

  The synthesis of seven coumarin derivatives from 4-hydroxycoumarin and different unsaturated ketones is described. The structures of the synthesized compounds were proved by IR, H-1-NMR and mass-spectral data. Acute toxicity studies of the compounds were performed on mice by oral and intraperitoneal administration. A comparative pharmacological study of the in vivo anticoagulant effects of the derivatives with respect to Warfarin showed that the new compounds have different anticoagulant activities. 4-Acetoxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one 2 showed slight acute toxicity and a higher anticoagulant effect than Warfarin.
• TRANSDERMAL WARFARIN-CONTAINING DELIVERY SYSTEM
  申请人：ALZA CORPORATION

  公开号：EP1651197A1

  公开（公告）日：2006-05-03
• SYNERGISTIC ANTICOAGULANT COMPOSITION
  申请人：WISYS TECHNOLOGY FOUNDATION, INC.

  公开号：US20190263765A1

  公开（公告）日：2019-08-29

  A composition is provided that, when utilized in combination with a coumarin anticoagulant, greatly improves the anticoagulant effects of the anticoagulant in mammalian subjects. The composition is a compound having a naphthohydroquinone ring system substantially similar to the ring system of the reduced form of vitamin K 1 and has the general formula: where n is 1 or 2, where R 1 and R 4 are hydrogen or acyl, R 2 is a hydrogen or saturated or unsaturated alkyl group with up to 6 carbons, and R 3 is a hydrogen or saturated or unsaturated alkyl group with up to 6 carbons, or R 2 and R 3 are part of a cyclic or polycyclic ring system.
• US7323191B2
  申请人：——

  公开号：US7323191B2

  公开（公告）日：2008-01-29