4,5-二氨基-6-硫尿嘧啶 | 40848-33-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 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: 4,5-二氨基-6-硫尿嘧啶
• 英文名称: 2-Hydroxy-4-mercapto-5,6-diamino-pyrimidin
• 英文别名: 5,6-Diamino-2-hydroxy-4-mercapto-pyrimidin；5,6-diamino-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one；5,6-Diamino-4-thiouracil；5,6-diamino-4-sulfanylidene-1H-pyrimidin-2-one
• CAS: 40848-33-7
• 化学式: C₄H₆N₄OS
• mdl: MFCD03411339
• 分子量: 158.184
• InChiKey: GXWCTUJSEWZPNM-UHFFFAOYSA-N

物化性质

• 熔点：
  >270°C
• 密度：
  1.66±0.1 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  125
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1,3-二溴丙烷 、 4,5-二氨基-6-硫尿嘧啶 以 水 、 异丙醇 为溶剂， 以54%的产率得到8,9-diamino-3,4-dihydro-2H,6H-pyrimido<6,1-b><1,3>thiazin-6-one
  参考文献：
  名称：

  Rinaldi; Pecorari; Costantino, Il Farmaco, 1992, vol. 47, # 10, p. 1315 - 1322

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-二氨基脲嘧啶 在 吡啶 、 diphosphorus pentasulfide 作用下， 反应 3.0h， 以70%的产率得到4,5-二氨基-6-硫尿嘧啶
  参考文献：
  名称：

  Syntheses of novel heterocycles as anticancer agents

  摘要：

  Several pteridine analogues 4-13, 23-26 have been synthesized and tested in vitro against three cancer cell lines, MCF7 (breast), NCl-H460 (lung) and SF-268 (CNS). All tested pteridines can serve as novel templates for the anticancer chemotherapy and can serve as new leads in cancer chemotherapy. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.02.055

文献信息

• Synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins including against respiratory tract pathogens
  作者：Chang-Seok Lee、Eun-Jung Ryu、Seong Ho Oh、Kyoung-Sook Paek、Mu Yong Kim、Hasik Youn

  DOI：10.1016/s0960-894x(00)00425-x

  日期：2000.9

  The variety of cephalosporins 1 and 2 which possessed C(3)-aminopyrimidinyl substituents were prepared and evaluated for their antibacterial activities. They exhibited excellent in vitro activities especially against respiratory tract pathogens such as penicillin resistant Streptococus pneumonia, Moraxella catarrhalis and Haemophilus influenza. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Syntheses of novel heterocycles as anticancer agents
  作者：Prem M.S. Chauhan、Cristina J.A. Martins、David C. Horwell

  DOI：10.1016/j.bmc.2005.02.055

  日期：2005.5

  Several pteridine analogues 4-13, 23-26 have been synthesized and tested in vitro against three cancer cell lines, MCF7 (breast), NCl-H460 (lung) and SF-268 (CNS). All tested pteridines can serve as novel templates for the anticancer chemotherapy and can serve as new leads in cancer chemotherapy. (c) 2005 Elsevier Ltd. All rights reserved.
• Rinaldi; Pecorari; Costantino, Il Farmaco, 1992, vol. 47, # 10, p. 1315 - 1322
  作者：Rinaldi、Pecorari、Costantino、Provvisionato、Malagoli、Cermelli

  DOI：——

  日期：——