摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

| 130599-97-2

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
130599-97-2
化学式
C30H38N2O6
mdl
——
分子量
522.642
InChiKey
SHCPEQHRJZIPJV-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):
    6.02
  • 重原子数:
    38.0
  • 可旋转键数:
    8.0
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.47
  • 拓扑面积:
    110.8
  • 氢给体数:
    2.0
  • 氢受体数:
    6.0

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

  • 作为反应物:
    描述:
    吡啶盐酸 作用下, 以 乙醇 为溶剂, 反应 7.33h, 生成 2-[4-(N-Acetyl)amino]phenyl-5-amino-4H-benzopyran-4-one
    参考文献:
    名称:
    Novel 5-Aminoflavone Derivatives as Specific Antitumor Agents in Breast Cancer
    摘要:
    In the course of our search for new antitumor agents in breast cancer, novel amino-substituted flavone derivatives were synthesized and examined for antitumor activities. Among them, 5,4'-diaminoflavone and some of its congeners showed remarkable antiproliferative activity against the estrogen receptor (ER)-positive and estrogen-responsive human breast cancer cell line MCF-7. The activity was observed irrespective of the presence or absence of estrogen. The 5-aminoflavone derivatives (5-AFs) are not classical anti-estrogens because they did not compete with [H-3]estradiol to bind the estrogen receptor. Moreover, 5-AFs showed antitumor activity highly selective to the ER-positive breast cancer cell line, and they showed no effects against the ER-negative human cancer cell lines HeLa S-3, WiDr, and MDA-MB-453. Although the mechanism of their selective antitumor activity to ER-positive breast cancer cells is unclear, 5-AFs are expected to be a new type of antitumor agents in breast cancer.
    DOI:
    10.1021/jm950938g
  • 作为产物:
    描述:
    参考文献:
    名称:
    Novel 5-Aminoflavone Derivatives as Specific Antitumor Agents in Breast Cancer
    摘要:
    In the course of our search for new antitumor agents in breast cancer, novel amino-substituted flavone derivatives were synthesized and examined for antitumor activities. Among them, 5,4'-diaminoflavone and some of its congeners showed remarkable antiproliferative activity against the estrogen receptor (ER)-positive and estrogen-responsive human breast cancer cell line MCF-7. The activity was observed irrespective of the presence or absence of estrogen. The 5-aminoflavone derivatives (5-AFs) are not classical anti-estrogens because they did not compete with [H-3]estradiol to bind the estrogen receptor. Moreover, 5-AFs showed antitumor activity highly selective to the ER-positive breast cancer cell line, and they showed no effects against the ER-negative human cancer cell lines HeLa S-3, WiDr, and MDA-MB-453. Although the mechanism of their selective antitumor activity to ER-positive breast cancer cells is unclear, 5-AFs are expected to be a new type of antitumor agents in breast cancer.
    DOI:
    10.1021/jm950938g
点击查看最新优质反应信息