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7-benzyloxy-1-methyl-6-(pyridin-3-yl)-3,4-dihydro-1H-quinolin-2-one | 1392223-78-7

中文名称
——
中文别名
——
英文名称
7-benzyloxy-1-methyl-6-(pyridin-3-yl)-3,4-dihydro-1H-quinolin-2-one
英文别名
1-Methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one;1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one
7-benzyloxy-1-methyl-6-(pyridin-3-yl)-3,4-dihydro-1H-quinolin-2-one化学式
CAS
1392223-78-7
化学式
C22H20N2O2
mdl
——
分子量
344.413
InChiKey
MTQBOVPCWAKWKD-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):
    3.3
  • 重原子数:
    26
  • 可旋转键数:
    4
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.18
  • 拓扑面积:
    42.4
  • 氢给体数:
    0
  • 氢受体数:
    3

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

反应信息

  • 作为产物:
    参考文献:
    名称:
    Selective Dual Inhibitors of CYP19 and CYP11B2: Targeting Cardiovascular Diseases Hiding in the Shadow of Breast Cancer
    摘要:
    Postmenopausal women are at high risk for cardiovascular diseases because of the estrogen deficiency. As for postmenopausal breast cancer patients, this risk is even higher due to inhibition of estrogens biosyntheses in peripheral tissue by the aromatase (CYP19) inhibitors applied. Because estrogen deficiency results in significantly elevated aldosterone levels, which are a major cause of cardiovascular diseases, dual inhibition of CYP19 and CYP11B2 (aldosterone synthase) is a promising treatment for breast cancer and the coinstantaneous cardiovascular diseases. By combination of important structural features of known CYP19 and CYP11B2 inhibitors, we succeeded in obtaining compounds 3 and 5 as selective dual inhibitors with IC50 values around 50 and 20 nM toward CYP19 and CYP11B2, respectively. These compounds showed also good selectivity toward CYP11B1 (selectivity factors (IC50 (CYP11B1)/IC50 (CYP11B2)) around 50) and CYP17 (no inhibition).
    DOI:
    10.1021/jm3004637
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文献信息

  • Selective Dual Inhibitors of CYP19 and CYP11B2: Targeting Cardiovascular Diseases Hiding in the Shadow of Breast Cancer
    作者:Qingzhong Hu、Lina Yin、Rolf W. Hartmann
    DOI:10.1021/jm3004637
    日期:2012.8.23
    Postmenopausal women are at high risk for cardiovascular diseases because of the estrogen deficiency. As for postmenopausal breast cancer patients, this risk is even higher due to inhibition of estrogens biosyntheses in peripheral tissue by the aromatase (CYP19) inhibitors applied. Because estrogen deficiency results in significantly elevated aldosterone levels, which are a major cause of cardiovascular diseases, dual inhibition of CYP19 and CYP11B2 (aldosterone synthase) is a promising treatment for breast cancer and the coinstantaneous cardiovascular diseases. By combination of important structural features of known CYP19 and CYP11B2 inhibitors, we succeeded in obtaining compounds 3 and 5 as selective dual inhibitors with IC50 values around 50 and 20 nM toward CYP19 and CYP11B2, respectively. These compounds showed also good selectivity toward CYP11B1 (selectivity factors (IC50 (CYP11B1)/IC50 (CYP11B2)) around 50) and CYP17 (no inhibition).
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