4-[3-(3-imidazol-1-yl-propyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxo-imidazolidin-1-ylmethyl]-benzoic acid | 220363-49-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 4-[3-(3-imidazol-1-yl-propyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxo-imidazolidin-1-ylmethyl]-benzoic acid
• 英文别名: 4-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(naphthalen-1-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzoic acid；4-[[3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxoimidazolidin-1-yl]methyl]benzoic acid
• CAS: 220363-49-5
• 化学式: C₂₈H₂₆N₄O₄
• 分子量: 482.539
• InChiKey: ANJRETXSJRSEAS-UHFFFAOYSA-N

物化性质

• 沸点：
  740.3±70.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  95.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[3-(3-imidazol-1-yl-propyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxo-imidazolidin-1-ylmethyl]-benzoic acid 以90%的产率得到4[3-(3-imidazol-1-yl-propyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxo-imidazolidin-1-ylmethyl]-N-(2-methoxy-ethyl)-N-methyl-benzamide
  参考文献：
  名称：

  Hydantoin compounds and methods related thereto

  摘要：

  本发明涉及一种新颖的咪唑二酮化合物，其由式（I）表示，该化合物具有抑制法尼酰转移酶的活性，因此可用作抗癌剂，或其药学上可接受的盐，其中R1、R2、R3和R4在本申请中定义。本发明还涉及一种制备式（I）化合物的方法，以及包含式（I）化合物作为活性成分的抗癌组合物。

  公开号：

  US06384061B1
• 作为产物：
  描述：

  1-(3-羟基丙基)-1H-咪唑 在 sodium hydride 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 生成 4-[3-(3-imidazol-1-yl-propyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxo-imidazolidin-1-ylmethyl]-benzoic acid
  参考文献：
  名称：

  Hydantoin derivatives as non-peptidic inhibitors of Ras farnesyl transferase

  摘要：

  1, 3,5,5-Tetrasubstituted 2,4-imidazolinedione (hydantoin) derivatives were evaluated as Ftase inhibitors. Potent Ftase inhibitors without thiol or peptide were obtained in three steps. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.074

文献信息

• US6384061B1
  申请人：——

  公开号：US6384061B1

  公开（公告）日：2002-05-07
• Hydantoin derivatives as non-peptidic inhibitors of Ras farnesyl transferase
  作者：Jinho Lee、Jonghyun Kim、Jong Sung Koh、Hyun-Ho Chung、Kyoung-Hee Kim

  DOI：10.1016/j.bmcl.2005.12.074

  日期：2006.4

  1, 3,5,5-Tetrasubstituted 2,4-imidazolinedione (hydantoin) derivatives were evaluated as Ftase inhibitors. Potent Ftase inhibitors without thiol or peptide were obtained in three steps. (C) 2006 Elsevier Ltd. All rights reserved.
• Hydantoin compounds and methods related thereto
  申请人：LG Chemical Ltd.

  公开号：US06384061B1

  公开（公告）日：2002-05-07

  The present invention relates to novel hydantoin compounds represented by formula (I) which shows an inhibitory activity against farnesyl transferase, and thus can be used as an anti-cancer agent, or pharmaceutically acceptable salts thereof, in which R1, R2, R3 and R4 are as defined in the present application. The present invention also relates to a process for preparation of the compound of formula (I), and to an anti-cancer composition comprising the compound of formula (I) as an active ingredient.

  本发明涉及一种新颖的咪唑二酮化合物，其由式（I）表示，该化合物具有抑制法尼酰转移酶的活性，因此可用作抗癌剂，或其药学上可接受的盐，其中R1、R2、R3和R4在本申请中定义。本发明还涉及一种制备式（I）化合物的方法，以及包含式（I）化合物作为活性成分的抗癌组合物。