(Z)-4-(4-morpholinophenylmethylene)-3-methyl-5(4H)-isoxazolone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (Z)-4-(4-morpholinophenylmethylene)-3-methyl-5(4H)-isoxazolone
• 英文别名: (4Z)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one
• 化学式: C₁₅H₁₆N₂O₃
• 分子量: 272.304
• InChiKey: TWEAUWBVAUHVBU-UVTDQMKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-苯基吗啉 在 磷酸 、 羟胺 、 三氯氧磷 作用下， 生成 (Z)-4-(4-morpholinophenylmethylene)-3-methyl-5(4H)-isoxazolone
  参考文献：
  名称：

  Novel Non-Steroidal/Non-Anilide Type Androgen Antagonists with an Isoxazolone Moiety

  摘要：

  3-Substitutcd (Z)-4-(4-N,N-dialkylaminophenylmethylene)-5(4H)-isoxazolones and related compounds were designed and prepared as candidates for structurally novel androgen antagonists. Several compounds showed potent anti-androgenic activity as assessed by nuclear androgen receptor binding assay and growth inhibition assay using androgen-dependent Shionogi carcinoma cells SC-3. They were approximately 10-220 times more potent than flutamide in these assay systems, They also showed anti-androgenic activity toward prostate tumor cell line LNCaP, which has an aberrant nuclear androgen receptor. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00421-7