[(1R,2S,10R,12R,13S)-12-cyano-8-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-16,19-dioxo-10-[(2-oxopropanoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),17-pentaen-5-yl] 2-hydroxyacetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: [(1R,2S,10R,12R,13S)-12-cyano-8-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-16,19-dioxo-10-[(2-oxopropanoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),17-pentaen-5-yl] 2-hydroxyacetate
• 化学式: C₃₁H₃₄N₄O₁₀
• 分子量: 622.6
• InChiKey: OBXNNTHNWJZCST-HPGFDKJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  196
• 氢给体数：
  3
• 氢受体数：
  13

文献信息

• Hemisynthetic Method and New Compounds
  申请人：Cuevas Carmen

  公开号：US20080045713A1

  公开（公告）日：2008-02-21

  Methods are provided for preparing a compound with a fused ring structure of formula (XIV) which comprises one or more reactions starting from a 21-cyano compound of formula (XVI) where typically; R 1 is an amidomethylene group or an aryloxymethylene group; R 5 and R 8 are independently chosen from —H, —OH or —OCOCH 2 OH, or R 5 and R 8 are both keto and the ring A is a p-benzoquinone ring; R 14a and R 14b are both —H ozone is —H and the other is —OH, —OCH 3 or —OCH 2 CH 3 , or R 14a and R 14b together form a keto group; and R 15 and R 18 are independently chosen from —H or —OH, or R 5 and R 8 are both keto and the ring A is a p-benzoquinone ring. In modified starting materials, the 21-cyano group can be replaced by other groups introduced using nucleophilic reagents.
• Antitumoral analogs of ET-743
  申请人：Manzanares Ignacio

  公开号：US20080051407A1

  公开（公告）日：2008-02-28

  Antitumor compounds have the five membered fused ring ecteinascidin structure of the formula (XIV). The present compounds lack a 1,4-bridging group as found in the ecteinascidins. They have at the C-1 position a substituent selected from an optionally protected or derivatised aminomethylene group or an optionally protected or derivatised hydroxymethylene group.
• Anititumoral Ecteinascidin Derivatives
  申请人：Flores Maria

  公开号：US20080146580A1

  公开（公告）日：2008-06-19

  This invention relates to antitumoral ecteinascidin derivatives.
• US7202361B2
  申请人：——

  公开号：US7202361B2

  公开（公告）日：2007-04-10
• US7241892B1
  申请人：——

  公开号：US7241892B1

  公开（公告）日：2007-07-10