9-<4-(propionyloxy)-3-<(propionyloxy)methyl>but-1-yl>guanine | 97845-73-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 9-<4-(propionyloxy)-3-<(propionyloxy)methyl>but-1-yl>guanine
• 英文别名: [4-(2-amino-6-oxo-1H-purin-9-yl)-2-(propanoyloxymethyl)butyl] propanoate
• CAS: 97845-73-3
• 化学式: C₁₆H₂₃N₅O₅
• 分子量: 365.389
• InChiKey: JYUXQFDQWDUVLS-UHFFFAOYSA-N

物化性质

• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,1,2-乙烷三羧酸三乙酯 在 盐酸 、 甲醇 、 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 四溴化碳 、 potassium carbonate 、 对甲苯磺酸 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 73.75h， 生成 9-<4-(propionyloxy)-3-<(propionyloxy)methyl>but-1-yl>guanine
  参考文献：
  名称：

  9- [4-羟基-3-（羟甲基）丁-1-基]嘌呤的合成及其抗病毒活性。

  摘要：

  2-氨基-6-氯嘌呤与5-（2-溴乙基）-2,2-二甲基-1,3-二恶烷（5）烷基化可提供2-氨基-6-氯-9- [2，（2,2 -二甲基-1，3-二氧杂环己烷-5-基）乙基]嘌呤（6）的高产率。该氨基氯嘌呤6易于转化为抗病毒无环核苷9- [4-羟基-3-（羟甲基）丁-1-基]鸟嘌呤（1）及其6-氯（10），6-硫代（11），6 -烷氧基（12-17），6-氨基（20）和6-脱氧（21）嘌呤类似物。鸟嘌呤衍生物1转化为其黄嘌呤类似物9。类似地，用5进行6-氯嘌呤的烷基化提供了通往1的次黄嘌呤类似物8的途径。在这9个取代的嘌呤中，鸟嘌呤衍生物1显示出对疱疹的最高活性。细胞培养物中的1型和2型单纯性病毒，在某些测试中，它比阿昔洛韦更具活性，没有证据表明对细胞有毒性。

  DOI：

  10.1021/jm00392a020

文献信息

• Anti-infective compositions, methods and systems for treating pathogen-induced disordered tissues
  申请人：Johnson Ron B.

  公开号：US20060135464A1

  公开（公告）日：2006-06-22

  Compositions, methods and systems for treating disordered epithelial tissues, such as is caused by pathogens and/or by toxins produced thereby. The invention relates to the use of an anti-infective and/or antimicrobial active agent in a carrier, with vigorous agitation of the disordered epithelial tissue for topical treatment thereof under such conditions sufficient to achieve clinically discernable improvement of the disordered epithelial tissue. The preferred anti-infective and/or antimicrobial active agent comprises a nucleoside, such as acyclovir, valcyclovir, penciclovir, famciclovir, ganciclovir, cidofovir, adefovir, and tenofovir, and derivatives, analogs, or metabolites thereof, or a mixture thereof, or 1-docosanol, optionally in combination with an organohalide. The inventive compositions and methods may employ the use of an applicator adapted for use in promoting the penetration of the treatment composition and/or the vigorous agitation of the disordered tissue.

  用于治疗紊乱上皮组织的组合物、方法和系统，例如由病原体和/或由此产生的毒素引起的紊乱上皮组织。本发明涉及在载体中使用抗感染和/或抗菌活性剂，并对紊乱的上皮组织进行剧烈搅拌，在足以使紊乱的上皮组织得到临床上可识别的改善的条件下进行局部治疗。优选的抗感染和/或抗菌活性剂包括核苷类药物，如阿昔洛韦、valcyclovir、penciclovir、famciclovir、ganciclovir、cidofovir、adefovir 和 tenofovir 及其衍生物、类似物或代谢物，或其混合物，或 1-docosanol，可选择与有机卤化物结合使用。本发明的组合物和方法可以使用适用于促进治疗组合物渗透和/或剧烈搅拌紊乱组织的涂抹器。
• Antiviral guanine derivatives
  申请人：BEECHAM GROUP PLC

  公开号：EP0141927B1

  公开（公告）日：1991-10-30
• COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES
  申请人：Quadex Pharmaceuticals, LLC

  公开号：EP2968228A1

  公开（公告）日：2016-01-20
• US20140274939A1
  申请人：——

  公开号：US20140274939A1

  公开（公告）日：2014-09-18
• COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED AND/OR PRODROMAL STAGE TISSUE
  申请人：QUADEX PHARMACEUTICALS, LLC

  公开号：US20150374704A1

  公开（公告）日：2015-12-31

  Compositions and methods for treating disordered and/or prodromal stage tissue infected with by a virus in a mammal by co-administering a systemic anti-virus drug and topically administered anti-infective composition. The systemic anti-virus drug is internally administered and disrupts or inhibits virus replication systemically within the mammal. Examples include nucleoside analogues, nucleoside analogue precursors, and nucleotide analogues. The topically administered anti-infective composition includes at least one anti-infective agent, such as an organohalide (e.g., benzalkonium chloride), and is formulated to penetrate below the skin surface and allow the anti-infective agent to kill viruses at a treatment site. The topical anti-infective composition enhances efficacy of the systemic anti-virus drug and reduces the time and/or number of dosages otherwise required for the systemic anti-virus drug to treat the viral infection. The topical anti-infective composition can be more beneficial than the systemic anti-virus drug in killing viruses and can reduce or eliminate post-herpetic neuralgia.