(4R)-1-[(4-naphthalen-2-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxylic acid | 352665-70-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4R)-1-[(4-naphthalen-2-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxylic acid
• CAS: 352665-70-4
• 化学式: C₂₁H₁₈N₂O₄
• 分子量: 362.385
• InChiKey: ZVPHAUCHQDVOEZ-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  78.87
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (4R)-1-[(4-naphthalen-2-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxylic acid 在 乙胺嗪 、 三氟化硼乙醚 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (4R)-1-[4-(Naphthalen-2-yloxy)benzyl]-2-oxo-imidazolidine-4-carboxylic acid hydroxyamide
  参考文献：
  名称：

  Design and synthesis of 2-oxo-imidazolidine-4-carboxylic acid hydroxyamides as potent matrix metalloproteinase-13 inhibitors

  摘要：

  A novel series of imidazolidinone-based matrix metalloproteinase (MMP) inhibitors was discovered by structural modification of pyrrolidinone 1a. Potent inhibition of MMP-13 was exhibited by the analogues having 4-(4-fluorophenoxy)phenyl (4a, IC50 = 3 nM) and 4-(naphth-2-yloxy)phenyl (4h, IC50 - 4 nM) as Pl ' groups. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00187-1
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (4R)-1-[(4-naphthalen-2-yloxyphenyl)methyl]-2-oxoimidazolidine-4-carboxylic acid
  参考文献：
  名称：

  Design and synthesis of 2-oxo-imidazolidine-4-carboxylic acid hydroxyamides as potent matrix metalloproteinase-13 inhibitors

  摘要：

  A novel series of imidazolidinone-based matrix metalloproteinase (MMP) inhibitors was discovered by structural modification of pyrrolidinone 1a. Potent inhibition of MMP-13 was exhibited by the analogues having 4-(4-fluorophenoxy)phenyl (4a, IC50 = 3 nM) and 4-(naphth-2-yloxy)phenyl (4h, IC50 - 4 nM) as Pl ' groups. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00187-1