trans-1-methoxy-2-(methylamino)-7-aminomitosene | 135028-99-8

• 分子结构分类: 有机化合物
• 英文名称: trans-1-methoxy-2-(methylamino)-7-aminomitosene
• 英文别名: [(2S,3R)-6-amino-3-methoxy-7-methyl-2-(methylamino)-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
• CAS: 135028-99-8
• 化学式: C₁₆H₂₀N₄O₅
• 分子量: 348.359
• InChiKey: XZBRXBPFZXLGKA-VXJOIVPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 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：
  139
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  泊非霉素 以11%的产率得到
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• Solvolysis Study of Cycliciminomitomycins
  作者：Younghwa Na

  DOI：10.1248/cpb.55.482

  日期：——

  The solvolysis rates for the substituted C(7)-cyclohexylamino- or C(8)-cyclohexyliminomitomycins 8-19 were determined in buffered methanolic solutions (0.06 M bis-Tris·HCl, pH: 5.5) at 25 °C and then compared with mitomycin C (1) and porfiromycin. Kinetic studies showed that C(8)-cyclohexyliminomitomycins 8-13 underwent solvolysis 150-230 times faster than mitomycin C (1) to give C(1)-methoxymitosene products. The solvolysis rates were slightly faster than that reported for 6. The C(7)-(2′-hydroxy)cyclohexylaminomitomycins 16-19 exhibited comparable solvolysis rates with 1 and porfiromycin.

  取代的 C(7)-环己基氨基-或 C(8)-环己基亚氨基丝裂霉素 8-19 的溶剂分解率在缓冲甲醇溶液（0.06 M bis-Tris·HCl，pH：5.5）中测定。 25 °C，然后与丝裂霉素 C (1) 和卟啉霉素进行比较。动力学研究表明，C(8)-环己基亚氨基丝裂霉素8-13的溶剂分解速度比丝裂霉素C(1)快150-230倍，产生C(1)-甲氧基丝裂霉素产物。溶剂分解速率比报道的 6 稍快。C(7)-(2'-羟基)环己基氨基丝裂霉素 16-19 表现出与 1 和卟啉霉素相当的溶剂分解速率。
• 7-Aminoaziridinomitosenes: synthesis, structure, and chemistry
  作者：Insook Han、Harold Kohn

  DOI：10.1021/jo00015a016

  日期：1991.7

  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.