(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[(E)-1-(6-methoxy-9-methylpurin-2-yl)prop-1-en-2-yl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione | 888316-76-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[(E)-1-(6-methoxy-9-methylpurin-2-yl)prop-1-en-2-yl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
• CAS: 888316-76-5
• 化学式: C₃₀H₄₄N₄O₇
• 分子量: 572.702
• InChiKey: UZBBMMDZXNTHKJ-KNIJCFAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  41
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  149
• 氢给体数：
  2
• 氢受体数：
  10

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
• [EN] CHEMICAL SYNTHESIS OF A HIGHLY POTENT EPOTHILONE<br/>[FR] SYNTHESE CHIMIQUE D'UN EPOTHILONE TRES PUISSANT
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2007062288A2

  公开（公告）日：2007-05-31

  [EN] 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.
  [FR] La présente invention a trait à un composé à base d'épothilone de synthèse très actif dont l'activité est supérieure à celle de l'EpoA ou l'EpoB lorsqu'il est soumis à un dosage sous la forme d'un agent cytotoxique contre une lignée cellulaire cancéreuse ainsi qu'à une composition pharmaceutique contenant l'épothilone de synthèse.