| 220323-09-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 220323-09-1
• 化学式: C₁₈H₂₉N₃O₆S₂
• 分子量: 447.577
• InChiKey: NSCKYYWQPSQOMH-IFDGBPITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  29.0
• 可旋转键数：
  13.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  130.35
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 甲醇 、 Dowex 50W 作用下， 以58%的产率得到(E)-N-[(S)-2-((R)-sec-Butylsulfanylmethanesulfinyl)-1-hydroxymethyl-ethyl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylamide
  参考文献：
  名称：

  Synthesis and morphological reversion activity on srctsNRK cells of pyrimidinylpropanamide antibiotics, sparsomycin, sparoxomycin A1, A2, and their analogues

  摘要：

  Three pyrimidinylpropanamide antibiotics sparsomycin (1), sparoxomycins A1, A2 (2, 3), and also six analogues (4-9) have been synthesized by employing asymmetric sulfide oxidation conditions as a key step. Sparsomycin (1) and its alkyl analogues (5-7) showed higher morphological reversion activities on src(ts)NRK cells than 2 and 3. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00604-0
• 作为产物：
  描述：

  (SS)-O-(methoxymethyl)-S-methyl-D-cysteinol S-oxide 在 N-羟基-7-氮杂苯并三氮唑 、 N,N'-二环己基碳二亚胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and morphological reversion activity on srctsNRK cells of pyrimidinylpropanamide antibiotics, sparsomycin, sparoxomycin A1, A2, and their analogues

  摘要：

  Three pyrimidinylpropanamide antibiotics sparsomycin (1), sparoxomycins A1, A2 (2, 3), and also six analogues (4-9) have been synthesized by employing asymmetric sulfide oxidation conditions as a key step. Sparsomycin (1) and its alkyl analogues (5-7) showed higher morphological reversion activities on src(ts)NRK cells than 2 and 3. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00604-0