cis-1-ethoxy-2,7-diaminomitosene | 134938-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: cis-1-ethoxy-2,7-diaminomitosene
• 英文别名: [(2S,3S)-2,6-diamino-3-ethoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
• CAS: 134938-93-5
• 化学式: C₁₆H₂₀N₄O₅
• 分子量: 348.359
• InChiKey: ZNFYKZJMEOKWOT-AYVTZFPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  153
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  丝裂霉素 C 以 甲醇 为溶剂， 反应 0.08h， 生成 cis-1-ethoxy-2,7-diaminomitosene
  参考文献：
  名称：

  7-Aminoaziridinomitosenes: synthesis, structure, and chemistry

  摘要：

  7-Aminoleucoaziridinomitosene (2a) has been proposed as a key intermediate in the reductive activation process for the antineoplastic agent, mitomycin C (1a). Little is known about 2a and its oxidized equivalent, 7-aminoaziridinomitosene (3a). An expedient electrochemical procedure for 3a and the corresponding N-methyl analogue 3b has been developed. NMR spectral studies of 3a in DMF-d7 and DMSO-d6 provided important information concerning the solution-state structure for this adduct. Factors controlling the aziridine ring-opening process under reductive and nonreductive conditions have been determined, as well as evidence for the intermediacy of 2a in the reductive activation cascade of 1a.

  DOI：

  10.1021/jo00015a016

文献信息

• HAN, INSOOK;KOHN, HAROLD, J. ORG. CHEM., 56,(1991) N5, C. 4648-4653
  作者：HAN, INSOOK、KOHN, HAROLD

  DOI：——

  日期：——