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4-(3-aminophenoxy)-N-isopropylpicolinamide | 1412891-64-5

中文名称
——
中文别名
——
英文名称
4-(3-aminophenoxy)-N-isopropylpicolinamide
英文别名
4-(3-Amino-phenoxy)-pyridine-2-carboxylic acid isopropylamide;4-(3-aminophenoxy)-N-propan-2-ylpyridine-2-carboxamide
4-(3-aminophenoxy)-N-isopropylpicolinamide化学式
CAS
1412891-64-5
化学式
C15H17N3O2
mdl
——
分子量
271.319
InChiKey
NYYJHVLVNPJUIP-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.1
  • 重原子数:
    20
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.2
  • 拓扑面积:
    77.2
  • 氢给体数:
    2
  • 氢受体数:
    4

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    4-(3-aminophenoxy)-N-isopropylpicolinamide4-氯异硫氰酸苯酯二氯甲烷 为溶剂, 反应 18.0h, 以69.5%的产率得到4-(3-(3-(4-chlorophenyl)thioureido)phenoxy)-N-isopropylpicolinamide
    参考文献:
    名称:
    Design, synthesis and biological activities of sorafenib derivatives as antitumor agents
    摘要:
    A series of novel sorafenib derivatives, 9a-w, was designed and synthesized in high yields using various substituted anilines, and their antiproliferative activities against HCT116, PC-3 and MDA-MB-231 cell lines were also evaluated and described. All compounds exhibited potent antiproliferative activity against HCT116 and PC-3 cells with IC50 = 2.8-52.0 and 2.2-45.6 mu M; compounds 9p and 9q demonstrated competitive antiproliferative activities to sorafenib against all three cancer cell lines, the cytotoxicity of compound 9r is more potent than that of sorafenib. Compounds (9g, 9p, 9q and 9r) were chosen for further evaluation of the anti-angiogenesis activity, and showed the inhibition of sprout formation from aortic ring ex vivo. The structures of all the newly synthesized compounds were determined by H-1 NMR, C-13 NMR and HRMS. (C) 2012 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2012.09.031
  • 作为产物:
    参考文献:
    名称:
    Design, synthesis and biological activities of sorafenib derivatives as antitumor agents
    摘要:
    A series of novel sorafenib derivatives, 9a-w, was designed and synthesized in high yields using various substituted anilines, and their antiproliferative activities against HCT116, PC-3 and MDA-MB-231 cell lines were also evaluated and described. All compounds exhibited potent antiproliferative activity against HCT116 and PC-3 cells with IC50 = 2.8-52.0 and 2.2-45.6 mu M; compounds 9p and 9q demonstrated competitive antiproliferative activities to sorafenib against all three cancer cell lines, the cytotoxicity of compound 9r is more potent than that of sorafenib. Compounds (9g, 9p, 9q and 9r) were chosen for further evaluation of the anti-angiogenesis activity, and showed the inhibition of sprout formation from aortic ring ex vivo. The structures of all the newly synthesized compounds were determined by H-1 NMR, C-13 NMR and HRMS. (C) 2012 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2012.09.031
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文献信息

  • Design, synthesis and biological activities of sorafenib derivatives as antitumor agents
    作者:Jianwen Yao、Zuopeng He、Jing Chen、Wei Sun、Hao Fang、Wenfang Xu
    DOI:10.1016/j.bmcl.2012.09.031
    日期:2012.11
    A series of novel sorafenib derivatives, 9a-w, was designed and synthesized in high yields using various substituted anilines, and their antiproliferative activities against HCT116, PC-3 and MDA-MB-231 cell lines were also evaluated and described. All compounds exhibited potent antiproliferative activity against HCT116 and PC-3 cells with IC50 = 2.8-52.0 and 2.2-45.6 mu M; compounds 9p and 9q demonstrated competitive antiproliferative activities to sorafenib against all three cancer cell lines, the cytotoxicity of compound 9r is more potent than that of sorafenib. Compounds (9g, 9p, 9q and 9r) were chosen for further evaluation of the anti-angiogenesis activity, and showed the inhibition of sprout formation from aortic ring ex vivo. The structures of all the newly synthesized compounds were determined by H-1 NMR, C-13 NMR and HRMS. (C) 2012 Elsevier Ltd. All rights reserved.
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