(2S)-N-[[(1R,13R,15R,16S)-15-cyano-22-hydroxy-21-methoxy-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methyl]-2-[(2,2,2-trifluoroacetyl)amino]propanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-N-[[(1R,13R,15R,16S)-15-cyano-22-hydroxy-21-methoxy-6,20,24-trimethyl-5-prop-2-enoxy-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaen-13-yl]methyl]-2-[(2,2,2-trifluoroacetyl)amino]propanamide
• 化学式: C₃₄H₃₈F₃N₅O₇
• 分子量: 685.7
• InChiKey: MZVCRIKOCPRWNQ-YMCPBCCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  146
• 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.
• US7241892B1
  申请人：——

  公开号：US7241892B1

  公开（公告）日：2007-07-10
• US7247629B2
  申请人：——

  公开号：US7247629B2

  公开（公告）日：2007-07-24
• US7410969B2
  申请人：——

  公开号：US7410969B2

  公开（公告）日：2008-08-12