3,7,12,17-tetraethyl-3,8,13,18-tetramethyl-2-oxo-2,3-dihydro-22H,24H-porphine | 3133-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 3,7,12,17-tetraethyl-3,8,13,18-tetramethyl-2-oxo-2,3-dihydro-22H,24H-porphine
• 英文别名: Aetioporphyrin-keton；3,7,12,17-tetraethyl-3,8,13,18-tetramethyl-22,24-dihydro-3H-porphyrin-2-one
• CAS: 3133-89-9
• 化学式: C₃₂H₃₈N₄O
• 分子量: 494.68
• InChiKey: JSMNARMCCQROFU-APUIJHQJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.95
• 重原子数：
  37.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  74.43
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  4-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid tert-butyl ester 在 甲酸 、 硫酸 、 双氧水 、 溴 、 溶剂黄146 作用下， 反应 17.5h， 生成 3,7,12,17-tetraethyl-3,8,13,18-tetramethyl-2-oxo-2,3-dihydro-22H,24H-porphine
  参考文献：
  名称：

  Chauhan, S M S; Vijayarahavan, B, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 12, p. 1104 - 1107

  摘要：

  DOI：

文献信息

• Unusual transformations of vic-dihydroxychlorins in acetylacetone in the presence of zinc acetate: First synthesis of bischlorins, diacetylcyclopropylchlorins, and meso-diacetylmethyloctaethylporphyrin
  作者：G. V. Ponomarev、A. M. Shul'ga

  DOI：10.1007/bf00529494

  日期：1992.1
• Diels-Alder adducts of vinyl porphyrins: synthesis and in vivo photodynamic effect against a rat bladder tumor
  作者：Alan R. Morgan、Greta M. Garbo、Rick W. Keck、Robert A. Miller、Steven H. Selman、Dimitris Skalkos

  DOI：10.1021/jm00166a027

  日期：1990.4

  Benzoporphyrin derivatives have been proposed as potential photosensitizers for photodynamic therapy. We have prepared a number of benzoporphyrin derivatives and tested their effect, in combination with red light, on the N-[4-(5-nitro-2-furyl)-2-thiazolyl]formamide (FANFT) induced rat bladder tumor (AY-27) transplanted into Fischer CDF(F344)/CrlBr rats. Tetracyanoethylene (TCNE) adducts showed very little activity, which may be attributable to their poor tumor uptake or to chemical instability of the adduct under physiological conditions. However, dimethyl acetylenedicarboxylate (DMAD) adducts tested showed greater cytotoxic effect than hematoporphyrin derivative and similar activities to metallopurpurins when tested under the same protocol.