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

9-deacetyl-1-deoxybaccatin VI | 1310814-89-1

中文名称
——
中文别名
——
英文名称
9-deacetyl-1-deoxybaccatin VI
英文别名
——
9-deacetyl-1-deoxybaccatin VI化学式
CAS
1310814-89-1
化学式
C35H44O12
mdl
——
分子量
656.727
InChiKey
YDFWHTKAVWFXOL-OTQZIHIQSA-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):
    3.47
  • 重原子数:
    47.0
  • 可旋转键数:
    6.0
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.63
  • 拓扑面积:
    160.96
  • 氢给体数:
    1.0
  • 氢受体数:
    12.0

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:
    参考文献:
    名称:
    Semi-synthesis of 1-Deoxypaclitaxel and its Analogues from 1-Deoxybaccatin VI
    摘要:
    Despite numerous synthetic efforts and extensive SAR studies on paclitaxel analogs, little work has been devoted to derive SAR of the C-1 hydroxy group. Up to now, 1-deoxypaclitaxel has only been reported to be isolated from the Chinese yew, Taxus mairei (Taxaceae). However, the isolation from natural sources does not solve the availability problem due to the reported low yield of isolation. Also, only several analogues of this type have been reported. Thus, there is an urgent need for exploration of new synthetic methods on this structurally intriguing molecule and further SAR studies. In present work, we report the initial expedient semi-synthesis of 1-deoxypaclitaxel and its novel analogues with structural variations at C7 and C10 from 1-deoxybaccatin VI, as well as their cytotoxic activities against A 549 cell line.
    DOI:
    10.2174/157340612802084379
  • 作为产物:
    描述:
    7,9,10-trideacetyl-1-deoxybaccatin VI4-二甲氨基吡啶 、 cerium(III) chloride heptahydrate 作用下, 以 四氢呋喃 为溶剂, 反应 3.33h, 生成 9-deacetyl-1-deoxybaccatin VI
    参考文献:
    名称:
    Semi-synthesis of 1-Deoxypaclitaxel and its Analogues from 1-Deoxybaccatin VI
    摘要:
    Despite numerous synthetic efforts and extensive SAR studies on paclitaxel analogs, little work has been devoted to derive SAR of the C-1 hydroxy group. Up to now, 1-deoxypaclitaxel has only been reported to be isolated from the Chinese yew, Taxus mairei (Taxaceae). However, the isolation from natural sources does not solve the availability problem due to the reported low yield of isolation. Also, only several analogues of this type have been reported. Thus, there is an urgent need for exploration of new synthetic methods on this structurally intriguing molecule and further SAR studies. In present work, we report the initial expedient semi-synthesis of 1-deoxypaclitaxel and its novel analogues with structural variations at C7 and C10 from 1-deoxybaccatin VI, as well as their cytotoxic activities against A 549 cell line.
    DOI:
    10.2174/157340612802084379
点击查看最新优质反应信息