[3-[[6-[4-[(2-fluorophenyl)methoxy]-6-phenyl-2-pyrimidinyl]-2-naphthalenyl]oxy]propyl]propanedioic acid | 651722-25-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [3-[[6-[4-[(2-fluorophenyl)methoxy]-6-phenyl-2-pyrimidinyl]-2-naphthalenyl]oxy]propyl]propanedioic acid
• 英文别名: 2-[3-[6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-yl]oxypropyl]propanedioic acid
• CAS: 651722-25-7
• 化学式: C₃₃H₂₇FN₂O₆
• 分子量: 566.586
• InChiKey: ALTNQULKZCSDFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  [3-[[6-[4-[(2-fluorophenyl)methoxy]-6-phenyl-2-pyrimidinyl]-2-naphthalenyl]oxy]propyl]propanedioic acid disodium salt 在 盐酸 、 水 作用下， 生成 [3-[[6-[4-[(2-fluorophenyl)methoxy]-6-phenyl-2-pyrimidinyl]-2-naphthalenyl]oxy]propyl]propanedioic acid
  参考文献：
  名称：

  TUMOR SUPPRESSOR

  摘要：

  具有丙二酸结构的化合物由下式(1)表示： (1)（其中环A代表噁唑或类似物；R1代表烷基、低级烷氧基或类似物；R2和R3代表低级烷基或类似物；m代表0或1至4的整数，m个R1可以相同也可以不同；W代表3至5的整数），可用作预防或治疗胃肠息肉和/或恶性肿瘤的药剂，或预防其转移的药剂。

  公开号：

  US20090118314A1

文献信息

• EP2022500
  申请人：——

  公开号：——

  公开（公告）日：——
• PROPHYLACTIC OR THERAPEUTIC AGENT FOR PULMONARY FIBROSIS
  申请人：Hattori Noboru

  公开号：US20120059020A1

  公开（公告）日：2012-03-08

  Disclosed is a compound which has an inhibitory activity on plasminogen activator inhibitor-1 (PAI-1) and has a propanedioic acid structure represented by formula (1) [wherein R 1 and R 2 independently represent a hydrogen atom or a linear or branched alkyl group having 1 to 4 carbon atoms; R 3 represents a cyclohexyl group or a phenyl group (provide that the phenyl group may be substituted by a substituent selected from a linear or branched alkyl group having 1 to 4 carbon atoms, a linear or branched alkoxy group having 1 to 4 carbon atoms, and a halogen atom); R 4 represents a linear or branched alkyl group having 1 to 6 carbon atoms or a phenyl group (provide that the phenyl group may be substituted by a substituent selected from a linear or branched alkyl group having 1 to 4 carbon atoms, a linear or branched alkoxy group having 1 to 4 carbon atoms, and a halogen atom); and n represents an integer of 1 to 8]. The compound is useful as a prophylactic or therapeutic agent for pulmonary fibrosis.