methyl 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate | 1355498-53-1

• 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: methyl 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
• CAS: 1355498-53-1
• 化学式: C₁₈H₁₄ClFN₂O₃
• 分子量: 360.772
• InChiKey: GAOIMAAKFSPNRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  溴乙酸甲酯 、 7-氯-5-(2-氟苯基)-1,3-二氢-3H-1,4-苯并二氮杂卓-2-酮 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 4.5h， 以70%的产率得到methyl 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
  参考文献：
  名称：

  Synthesis of 5-aryl-1,4-benzodiazepine derivatives attached in resorcinaren-PAMAM dendrimers and their anti-cancer activity

  摘要：

  A series of resorcinaren-PAMAM dendrimers with benzodiazepines in the periphery were synthesized and their anticancer properties studied. The synthesized dendrimers showed potential anticancer activities, which were enhanced in the presence of a chloro-substituent in the second ring of the 5-aryl-1,4-benzodiazepine. The dendrimers were characterized by IR, H-1 and C-13 NMR, UV-vis absorption, electrospray (ES) and/or MALDI-TOF mass spectrometries. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.10.070

文献信息

• Synthesis of 5-aryl-1,4-benzodiazepine derivatives attached in resorcinaren-PAMAM dendrimers and their anti-cancer activity
  作者：Sandra Cortez-Maya、Simón Hernández-Ortega、Teresa Ramírez-Apan、Irina V. Lijanova、Marcos Martínez-García

  DOI：10.1016/j.bmc.2011.10.070

  日期：2012.1

  A series of resorcinaren-PAMAM dendrimers with benzodiazepines in the periphery were synthesized and their anticancer properties studied. The synthesized dendrimers showed potential anticancer activities, which were enhanced in the presence of a chloro-substituent in the second ring of the 5-aryl-1,4-benzodiazepine. The dendrimers were characterized by IR, H-1 and C-13 NMR, UV-vis absorption, electrospray (ES) and/or MALDI-TOF mass spectrometries. (C) 2011 Elsevier Ltd. All rights reserved.