(E)-3-(7H-Purin-6-ylsulfanyl)-acrylic acid | 79318-07-3

• 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: (E)-3-(7H-Purin-6-ylsulfanyl)-acrylic acid
• 英文别名: cis-3-(9h-Purin-6-ylthio)acrylic acid；(E)-3-(7H-purin-6-ylsulfanyl)prop-2-enoic acid
• CAS: 79318-07-3
• 化学式: C₈H₆N₄O₂S
• 分子量: 222.227
• InChiKey: JFBVDMIUMQUOAC-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  cis-3-(9H-purin-6-ylthio)acrylic acid 生成 (E)-3-(7H-Purin-6-ylsulfanyl)-acrylic acid
  参考文献：
  名称：

  Turbanova, E. S.; Orlova, N. A.; Ratsino, E. V., Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, # 4, p. 641 - 645

  摘要：

  DOI：

文献信息

• TURBANOVA E. S.; ORLOVA N. A.; RATSINO E. V.; SOKOLOV L. B., ZH. ORGAN. XIMII, 1981, 17, HO 4, 736-740
  作者：TURBANOVA E. S.、 ORLOVA N. A.、 RATSINO E. V.、 SOKOLOV L. B.

  DOI：——

  日期：——
• CAROTENOID PARTICLES AND USES THEREOF
  申请人：IP Science Limited

  公开号：EP2670392B1

  公开（公告）日：2020-11-11
• Glutathione-activated anti-tumor prodrugs of 6-mercaptopurine and 6-thioguanine
  申请人：——

  公开号：US20040023994A1

  公开（公告）日：2004-02-05

  The present invention relates to a method for treating a tumor in a tissue of a human or non-human animal, the tumor having an elevated level of glutathione relative to the tissue, the method comprising the steps of administering to the animal a prodrug comprising a thiopurine having a sulfur heteroatom conjugated to an alpha-, beta-unsaturated carbonyl moiety, in combination with a pharmaceutically acceptable carrier, the moiety comprising a double bond having an alpha end and a beta end, the beta end being accessible to glutathione in an addition-elimination reaction, the prodrug lacking an ionizable carboxylic acid group; and observing a reduction in growth of the tumor.
• US9737602B2
  申请人：——

  公开号：US9737602B2

  公开（公告）日：2017-08-22
• Turbanova, E. S.; Orlova, N. A.; Ratsino, E. V., Journal of Organic Chemistry USSR (English Translation), 1981, vol. 17, # 4, p. 641 - 645
  作者：Turbanova, E. S.、Orlova, N. A.、Ratsino, E. V.、Sokolov, L. B.

  DOI：——

  日期：——