嘧菌环胺代谢物CGA304075 | 195157-66-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 嘧菌环胺代谢物CGA304075
• 英文名称: Phenol, 4-((4-cyclopropyl-6-methyl-2-pyrimidinyl)amino)-
• 英文别名: 4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol
• CAS: 195157-66-5
• 化学式: C₁₄H₁₅N₃O
• 分子量: 241.293
• InChiKey: LBDZGKRFRHHISM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  58
• 氢给体数：
  2
• 氢受体数：
  4

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  嘧菌环胺	4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine	121552-61-2	C14H15N3	225.293

反应信息

• 作为产物：
  描述：

  嘧菌环胺 在 Absidia pseudocylindraspora 作用下， 以 乙醇 为溶剂， 以36.5%的产率得到嘧菌环胺代谢物CGA304075
  参考文献：
  名称：

  Microbial Transformations of the Fungicide Cyprodinil (CGA-219417)

  摘要：

  A collection of 12 microbial cultures, known to contain cytochrome P-450 monooxygenase or other degradative enzymes, was screened for their ability to degrade the Novartis Crop Protection Inc. developmental fungicide cyprodinil (CGA-219417; 4-cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine). Ten of the 12 cultures produced a monohydroxylated metabolite in yields ranging from 1.2 to 35.6%. The filamentous fungus, Beauveria bassiana ATCC 7159, produced a methoxylated glycoside of the monohydroxylated metabolite with a yield of 80%. Dihydroxylated metabolites and a molecular cleavage product, 4-cyclopropyl-6-methyl-2-pyrimidamine, were also detected in certain cultures. The overall results of the study indicated that cyprodinil was readily metabolized by a variety of microbial species. Metabolites generated by these cultures can potentially be used as analytical reference standards to support animal, plant, and soil metabolism studies.

  DOI：

  10.1021/jf970298l

文献信息

• Microbial Transformations of the Fungicide Cyprodinil (CGA-219417)
  作者：Mark J. Schocken、John Mao、Daniel J. Schabacker

  DOI：10.1021/jf970298l

  日期：1997.9.1

  A collection of 12 microbial cultures, known to contain cytochrome P-450 monooxygenase or other degradative enzymes, was screened for their ability to degrade the Novartis Crop Protection Inc. developmental fungicide cyprodinil (CGA-219417; 4-cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine). Ten of the 12 cultures produced a monohydroxylated metabolite in yields ranging from 1.2 to 35.6%. The filamentous fungus, Beauveria bassiana ATCC 7159, produced a methoxylated glycoside of the monohydroxylated metabolite with a yield of 80%. Dihydroxylated metabolites and a molecular cleavage product, 4-cyclopropyl-6-methyl-2-pyrimidamine, were also detected in certain cultures. The overall results of the study indicated that cyprodinil was readily metabolized by a variety of microbial species. Metabolites generated by these cultures can potentially be used as analytical reference standards to support animal, plant, and soil metabolism studies.