methyl (2R)-2-[(4-cyanobenzyl)(methyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate | 625443-79-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (2R)-2-[(4-cyanobenzyl)(methyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate
• 英文别名: methyl (2R)-2-[(4-cyanophenyl)methyl-methylamino]-3-(3-methylimidazol-4-yl)propanoate
• CAS: 625443-79-0
• 化学式: C₁₇H₂₀N₄O₂
• 分子量: 312.371
• InChiKey: JARHAIAMXOTALR-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  71.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl (2R)-2-[(4-cyanobenzyl)(methyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate 在 lithium hydroxide 作用下， 生成 (R)-2-[(4-Cyano-benzyl)-methyl-amino]-3-(3-methyl-3H-imidazol-4-yl)-propionic acid
  参考文献：
  名称：

  Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives

  摘要：

  Inhibitors of farnesyltransferase are effective against a variety of tumors in mouse models of cancer. Clinical trials to evaluate these agents in humans are ongoing. In our effort to develop new farnesyltransferase inhibitors, we have discovered a series of aryl tetrahydropyridines that incorporate substituted glycine, phenylalanine and histidine residues. The design, synthesis, SAR and biological properties of these compounds will be discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00095-7
• 作为产物：
  描述：

  (R)-2-Amino-3-(3-methyl-3H-imidazol-4-yl)-propionic acid methyl ester 在 sodium cyanoborohydride 作用下， 生成 methyl (2R)-2-[(4-cyanobenzyl)(methyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate
  参考文献：
  名称：

  Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives

  摘要：

  Inhibitors of farnesyltransferase are effective against a variety of tumors in mouse models of cancer. Clinical trials to evaluate these agents in humans are ongoing. In our effort to develop new farnesyltransferase inhibitors, we have discovered a series of aryl tetrahydropyridines that incorporate substituted glycine, phenylalanine and histidine residues. The design, synthesis, SAR and biological properties of these compounds will be discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00095-7

文献信息

• Farnesyltransferase inhibitors
  申请人：——

  公开号：US20030216441A1

  公开（公告）日：2003-11-20

  Compounds having the formula 1 are farnesyltransferase inhibitors. Also disclosed are methods of making the compounds, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds.

  具有以下化学式的化合物是法尼西基转移酶抑制剂。还公开了制备这些化合物的方法、含有这些化合物的药物组合物，以及使用这些化合物进行治疗的方法。