SK 3531 | 932031-75-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: SK 3531
• 英文别名: 5-ethyl-2-(5-piperazin-1-ylsulfonyl-2-propoxyphenyl)-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
• CAS: 932031-75-9
• 化学式: C₂₄H₃₃N₅O₄S
• 分子量: 487.623
• InChiKey: CBXLRNMSFNEUOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Mirodenafil 在 cDNA-expressed human cytochrome P₄₅₀ 3A₄ D-葡萄糖-6-磷酸 、 nicotinamide adenine dinucleotide phosphate 、 glucose 6-phosphate dehydrogenase 作用下， 以 phosphate buffer 、 乙腈 为溶剂， 反应 0.17h， 生成 SK 3531
  参考文献：
  名称：

  Identification of cytochrome P450 enzymes responsible forN-dealkylation of a new oral erectogenic, mirodenafil

  摘要：

  The purpose of this paper is to characterize the cytochrome P450 (CYP) enzymes involved in the metabolism of a new oral erectogenic, mirodenafil, to a major circulating active metabolite, N-dehydroxyethyl-mirodenafil, and to investigate the inhibitory potential of mirodenafil on seven CYP enzymes in human liver microsomes. CYP3A4 was identified as the major enzyme and CYP2C8 as a minor enzyme responsible for mirodenafil N-dealkylation based on correlation analysis, inhibition studies, and cDNA-expressed CYP enzyme activities. Plasma concentrations of mirodenafil and its N-dealkylated metabolite could therefore change with co-administration of known CYP3A4 inducers or inhibitors. Mirodenafil inhibited CYP3A4, CYP2C19 and CYP2D6 activities with IC50 values of 15.6, 38.2 and 77.0 mu M, respectively, in human liver microsomes. However, it is very unlikely that mirodenafil will significantly alter the clearance of other compounds metabolized by CYPs 1A2, 2A6, 2C8, 2C9, 2C19, 2D6 and 3A4 because the maximum plasma concentration of mirodenafil is 0.55 mu M after oral dosing of mirodenafil (100 mg) in male volunteers.

  DOI：

  10.1080/00498250701708521