LB-4b | 1244609-73-1

• 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: LB-4b
• 英文别名: 2(S)-(3-Benzyl-ureido)-4-methyl-pentanoic acid hydroxyamide；(2S)-2-(benzylcarbamoylamino)-N-hydroxy-4-methylpentanamide
• CAS: 1244609-73-1
• 化学式: C₁₄H₂₁N₃O₃
• 分子量: 279.339
• InChiKey: PDSXOKWGOMWNSE-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  90.5
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl (2S)-2-(benzylcarbamoylamino)-4-methylpentanoate 在 羟胺钾盐 作用下， 以 甲醇 为溶剂， 生成 LB-4b
  参考文献：
  名称：

  Discovery of a synthetic Aminopeptidase N inhibitor LB-4b as a potential anticancer agent

  摘要：

  APN inhibitors have been considered as potential anticancer agents for years. LB-4b is the first synthetic APN inhibitor to be evaluated for both of its anti-invasion and anti-angiogenesis effects. As a potent synthetic APN inhibitor (IC50 = 850 nM, versus bestatin of 8.1 mu M), LB-4b was determined to have more significant block effects to cancer cell invasion and angiogenesis than bestatin. Besides, it is able to be easily synthesized with a high total yield, while the reported synthetic methods of bestatin are much more complex. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.03.021