Methyl 2-[(2-fluorophenyl)carbamoyl]acetate | 1030487-72-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 2-[(2-fluorophenyl)carbamoyl]acetate
• 英文别名: methyl 3-(2-fluoroanilino)-3-oxopropanoate
• CAS: 1030487-72-9
• 化学式: C₁₀H₁₀FNO₃
• 分子量: 211.193
• InChiKey: KIXZCYKOFOFHRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2-[(2-fluorophenyl)carbamoyl]acetate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 3-(2-fluorophenylamino)-3-oxopropanoic acid
  参考文献：
  名称：

  N3-Arylmalonamides: A new series of thieno[3,2-b]pyridine based inhibitors of c-Met and VEGFR2 tyrosine kinases

  摘要：

  A family of thieno[3,2-b]pyridine based small molecule inhibitors of c-Met and VEGFR2 were designed based on lead structure 2. These compounds were shown to have IC50 values in the low nanomolar range in vitro and were efficacious in human tumor xenograft models in mice in vivo. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.095
• 作为产物：
  描述：

  2-氟苯胺 、 丙二酸甲酯酰氯 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 Methyl 2-[(2-fluorophenyl)carbamoyl]acetate
  参考文献：
  名称：

  N3-Arylmalonamides: A new series of thieno[3,2-b]pyridine based inhibitors of c-Met and VEGFR2 tyrosine kinases

  摘要：

  A family of thieno[3,2-b]pyridine based small molecule inhibitors of c-Met and VEGFR2 were designed based on lead structure 2. These compounds were shown to have IC50 values in the low nanomolar range in vitro and were efficacious in human tumor xenograft models in mice in vivo. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.095

文献信息

• N3-Arylmalonamides: A new series of thieno[3,2-b]pyridine based inhibitors of c-Met and VEGFR2 tyrosine kinases
  作者：Oscar Saavedra、Stephen Claridge、Lijie Zhan、Franck Raeppel、Marie-Claude Granger、Stéphane Raeppel、Michael Mannion、Frédéric Gaudette、Nancy Zhou、Ljubomir Isakovic、Naomy Bernstein、Robert Déziel、Hannah Nguyen、Normand Beaulieu、Carole Beaulieu、Isabelle Dupont、James Wang、A. Robert Macleod、Jeffrey M. Besterman、Arkadii Vaisburg

  DOI：10.1016/j.bmcl.2009.10.095

  日期：2009.12

  A family of thieno[3,2-b]pyridine based small molecule inhibitors of c-Met and VEGFR2 were designed based on lead structure 2. These compounds were shown to have IC50 values in the low nanomolar range in vitro and were efficacious in human tumor xenograft models in mice in vivo. (C) 2009 Elsevier Ltd. All rights reserved.