(E)-3-[(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-5,9-dioxo-4,17-dioxabicyclo[14.1.0]heptadecan-3-yl]but-2-enenitrile | 888316-79-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-3-[(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-5,9-dioxo-4,17-dioxabicyclo[14.1.0]heptadecan-3-yl]but-2-enenitrile
• CAS: 888316-79-8
• 化学式: C₂₄H₃₇NO₆
• 分子量: 435.561
• InChiKey: GENBOTXVZQZWKG-JHDGAHBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Chemical Synthesis of a Highly Potent Epothilone
  申请人：Nicolaou Kyriacos C.

  公开号：US20080293747A1

  公开（公告）日：2008-11-27

  A highly active synthetic epothilone compound whose activity exceeds that of either epothilone EpoA or EpoB when assayed as a cytotoxic agent against a cancer cell line is disclosed as is a pharmaceutical composition containing the synthetic epothilone.
• CHEMICAL SYNTHESIS OF A HIGHLY POTENT EPOTHILONE
  申请人：Nicolaou Kyriacos C.

  公开号：US20110301183A1

  公开（公告）日：2011-12-08

  A highly active synthetic epothilone compound whose activity exceeds that of either epothilone EpoA or EpoB when assayed as a cytotoxic agent against a cancer cell line is disclosed as is a pharmaceutical composition containing the synthetic epothilone.
• US8003801B2
  申请人：——

  公开号：US8003801B2

  公开（公告）日：2011-08-23