6-(2-Phenoxyethoxy-6-deaminomitomycin C) | 118598-87-1

• 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: 6-(2-Phenoxyethoxy-6-deaminomitomycin C)
• 英文别名: [(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phenoxyethoxy)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
• CAS: 118598-87-1
• 化学式: C₂₃H₂₅N₃O₇
• 分子量: 455.467
• InChiKey: VMSOEFWICPVQKF-USYHLRJESA-N

物化性质

• 熔点：
  153-155 °C
• 沸点：
  691.0±55.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  己二酸,聚合2,2-二甲基-1,3-丙二醇和2,5-呋喃二酮,苯酸酯 、 丝裂霉素 A 在 氢氧化钾 作用下， 反应 0.75h， 以71%的产率得到6-(2-Phenoxyethoxy-6-deaminomitomycin C)
  参考文献：
  名称：

  Preparation and antitumor activity of additional mitomycin A analogs

  摘要：

  On the basis of qualitative structure-activity relationships developed in the preceding article, a series of 32 new mitomycin A analogues were prepared and tested in antitumor screens. Seven of them gave greater prolongation of life (ILS) than mitomycin C in the mouse P388 leukemia assay. They included examples with 7-O substituents such as cyclic ethers and nitrogen heterocycles. A Hansch analysis was attempted with log P and MR as the independent variables, but no statistically significant correlation could be made. Seven compounds, chosen mainly for their good potency (MED), were tested in the subcutaneous B16 melanoma assay in mice and four of them showed greater ILS than mitomycin C.

  DOI：

  10.1021/jm00123a036

文献信息

• SAMI, SALAH M.;REMERS, WILLIAM A.;BRADNER, WILLIAM T., J. MED. CHEM., 32,(1989) N, C. 703-708
  作者：SAMI, SALAH M.、REMERS, WILLIAM A.、BRADNER, WILLIAM T.

  DOI：——

  日期：——
• Preparation and antitumor activity of additional mitomycin A analogs
  作者：Salah M. Sami、William A. Remers、William T. Bradner

  DOI：10.1021/jm00123a036

  日期：1989.3

  On the basis of qualitative structure-activity relationships developed in the preceding article, a series of 32 new mitomycin A analogues were prepared and tested in antitumor screens. Seven of them gave greater prolongation of life (ILS) than mitomycin C in the mouse P388 leukemia assay. They included examples with 7-O substituents such as cyclic ethers and nitrogen heterocycles. A Hansch analysis was attempted with log P and MR as the independent variables, but no statistically significant correlation could be made. Seven compounds, chosen mainly for their good potency (MED), were tested in the subcutaneous B16 melanoma assay in mice and four of them showed greater ILS than mitomycin C.