N-1-methanesulfonylcytosine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-1-methanesulfonylcytosine
• 英文别名: 1-MsC；1-(methanesulfonyl)cytosine；N-1-mesylcytosine；4-Amino-1-methylsulfonylpyrimidin-2-one
• 化学式: C₅H₇N₃O₃S
• 分子量: 189.195
• InChiKey: RLXXGEXMVKITDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-1-methanesulfonylcytosine 、 cadmium(II) chloride 以 甲醇 、 水 为溶剂， 以77%的产率得到dichlorobis[1-(methanesulfonyl)cytosine]cadmium(II)
  参考文献：
  名称：

  Transition metal complexes of N-1-tosylcytosine and N-1-mesylcytosine

  摘要：

  The syntheses as well as chemical and X-ray structural characterization of dichlorobis[1-(p-toluenesulfonyl)cytosine]copper(II) (2), its solvated pseudopolymorph containing two methanol molecules (3), dichlorobis[1-(p-toluenesulfonyl)cytosine]cadmium(II) (4), 1-methanesulfonylcytosine (6) and its copper complex dichlorobis(1-methanesulfonylcytosine)copper(II) (7) are described. In addition, spectroscopic studies of dichlorobis[1-(p-toluenesulfonyl)cytosine]cobalt(II) (5), as well as of dichlorobis(1-mesylcytosine)cadmium(II) (8) are presented. Pseudopolymorphs 2 and 3, as well as their 1-mesylcytosine analog 7, reveal square-planar coordination spheres, almost ideal in the case of 2, but considerably distorted in the case of 3 and 7. In all cases, the Cu(II) ion is coordinated by two endocyclic N3 atoms from two ligand molecules and by two chlorine atoms. The analogous coordination sphere was found in complex 4, where Cd(II) lies in the center of a slightly distorted tetrahedron formed by two endocyclic N3 atoms and by two chlorine atoms. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.088
• 作为产物：
  描述：

  胞嘧啶 、 甲基磺酰氯 在 苯磺酰胺 作用下， 以 乙腈 为溶剂， 以26.5%的产率得到N-(2-氧代-1H-嘧啶-6-基)甲磺酰胺
  参考文献：
  名称：

  Sulfonylpyrimidine derivatives with anticancer activity

  摘要：

  公开号：

  EP0877022B1

文献信息

• Sulfonylpyrimidine derivatives with anticancer activity
  申请人：Rudjer Boskovic Institute

  公开号：EP0877022B1

  公开（公告）日：2003-04-16
• Transition metal complexes of N-1-tosylcytosine and N-1-mesylcytosine
  作者：Aleksandar Višnjevac、Nikola Biliškov、Biserka Žinić

  DOI：10.1016/j.poly.2009.06.088

  日期：2009.9

  The syntheses as well as chemical and X-ray structural characterization of dichlorobis[1-(p-toluenesulfonyl)cytosine]copper(II) (2), its solvated pseudopolymorph containing two methanol molecules (3), dichlorobis[1-(p-toluenesulfonyl)cytosine]cadmium(II) (4), 1-methanesulfonylcytosine (6) and its copper complex dichlorobis(1-methanesulfonylcytosine)copper(II) (7) are described. In addition, spectroscopic studies of dichlorobis[1-(p-toluenesulfonyl)cytosine]cobalt(II) (5), as well as of dichlorobis(1-mesylcytosine)cadmium(II) (8) are presented. Pseudopolymorphs 2 and 3, as well as their 1-mesylcytosine analog 7, reveal square-planar coordination spheres, almost ideal in the case of 2, but considerably distorted in the case of 3 and 7. In all cases, the Cu(II) ion is coordinated by two endocyclic N3 atoms from two ligand molecules and by two chlorine atoms. The analogous coordination sphere was found in complex 4, where Cd(II) lies in the center of a slightly distorted tetrahedron formed by two endocyclic N3 atoms and by two chlorine atoms. (C) 2009 Elsevier Ltd. All rights reserved.