2(S)-[2(S)-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-pentanedioic acid 1-tert-butyl ester 5-(4(S)-ethyl-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-4-yl)ester | 534605-85-1

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 喜树碱
• 英文名称: 2(S)-[2(S)-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-pentanedioic acid 1-tert-butyl ester 5-(4(S)-ethyl-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-4-yl)ester
• 英文别名: 1-O-tert-butyl 5-O-[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanedioate
• CAS: 534605-85-1
• 化学式: C₄₅H₄₉N₅O₁₀
• 分子量: 819.912
• InChiKey: LOYSFVPLYIIEJM-RHIBOQTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  60
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  195
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• Method for identifying an enzyme to design anti-cancer compounds
  申请人：——

  公开号：US20030138864A1

  公开（公告）日：2003-07-24

  The present invention relates to a method for identification of enzymes that are preferentially expressed in certain tumor tissue as compared with rapidly growing normal cells or tissue, use of said enzymes for the compound design to generate an active anti-cancer substance selectively in tumor tissue, compounds designed based on said enzymes, their pharmaceutically acceptable salts as well as pharmaceutical composition thereof.

  本发明涉及一种酶的鉴定方法，该酶在某些肿瘤组织中与快速生长的正常细胞或组织相比表达优势，利用该酶设计化合物以在肿瘤组织中选择性地生成活性抗癌物质，基于该酶设计的化合物、其药学上可接受的盐以及药物组成物。
• METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1492523A2

  公开（公告）日：2005-01-05
• [EN] METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES<br/>[FR] PROCEDE D'IDENTIFICATION D'ENZYMES DE CIBLAGE DE TUMEURS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2003043631A2

  公开（公告）日：2003-05-30

  The present invention relates to a method for identification of enzymes that are preferentially expressed in certain tumor tissue as compared with rapidly growing normal cells or tissue, use of said enzymes for the compound design to generate an active anticancer substance selectively in tumor tissue, compounds designed based on said enzymes, their pharmaceutically acceptable salts as well as pharmaceutical composition thereof.