(9S)-9-ethyl-9-hydroxy-1-(3-methylbutyl)-1H,12H-pyrano[3",4":6',7']indolizino-[1',2':6,5]pyrido[4,3,2-de]quinazoline-2(3H)-thione-10,13(9H,15H)-dione | 538374-92-4

• 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: (9S)-9-ethyl-9-hydroxy-1-(3-methylbutyl)-1H,12H-pyrano[3",4":6',7']indolizino-[1',2':6,5]pyrido[4,3,2-de]quinazoline-2(3H)-thione-10,13(9H,15H)-dione
• 英文别名: (10S)-10-ethyl-10-hydroxy-23-(3-methylbutyl)-22-sulfanylidene-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9-dione
• CAS: 538374-92-4
• 化学式: C₂₆H₂₆N₄O₄S
• 分子量: 490.583
• InChiKey: NFUUMPJIKLCOFX-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,4-二氧六环 、 (9S)-9-acetoxy-9-ethyl-1-(3-methylbutyl)-2(3H)-thioxo-1H,12H-pyrano[3",4":6',7']indolizino[1',2':6,5]pyrido[4,3,2-de]quinazoline-10,13(9H,15H)-dione 在 盐酸 、 肼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以57%的产率得到(9S)-9-ethyl-9-hydroxy-1-(3-methylbutyl)-1H,12H-pyrano[3",4":6',7']indolizino-[1',2':6,5]pyrido[4,3,2-de]quinazoline-2(3H)-thione-10,13(9H,15H)-dione
  参考文献：
  名称：

  Novel hexacyclic compounds

  摘要：

  本发明涉及公式［1］中的六环化合物，其中Z、R3和R4如所述，以及其药用可接受的盐。这些化合物可用于治疗细胞增殖性疾病。

  公开号：

  US20030144304A1

文献信息

• Novel Water-Soluble Prodrugs
  申请人：Umeda Isao

  公开号：US20080015157A1

  公开（公告）日：2008-01-17

  An objective of the present invention is to provide water-soluble prodrugs that can be administered parenterally, and which show excellent water solubility and small interspecies or individual differences and are rapidly converted to the active form by chemical conversion. This invention provides water-soluble prodrugs represented by formula (1), or pharmaceutically acceptable salts, or hydrates or solvates thereof, (wherein, R 1 represents a hydrogen atom, or C1-C6 alkyl group; W represents a divalent group comprising a tertiary amino group or sulfonyl group; and Y represents a residue of a compound represented by Y—OH comprising an alcoholic hydroxyl group).

  本发明的目的是提供可经由肌肉注射给药的水溶性前药，其具有优异的水溶性、小的种间或个体差异，并且可通过化学转化迅速转化为活性形式。本发明提供了由式(1)表示的水溶性前药，或其药学上可接受的盐、水合物或溶剂化物，其中R1代表氢原子或C1-C6烷基；W代表包含三级胺基或磺酰基的二价基团；Y代表由Y-OH表示的化合物的残基，该化合物包括醇羟基。
• Preventive or Therapeutic Agents for Pancreatic Cancer, Ovarian Cancer, or Liver Cancer Comprising a Novel Water-Soluble Prodrug
  申请人：Umeda Isao

  公开号：US20090118271A1

  公开（公告）日：2009-05-07

  Preventive or therapeutic agents for pancreatic cancer, ovarian cancer, or liver cancer of the present invention comprise a water-soluble prodrug represented by formula 1 described below, or a pharmaceutically acceptable salt, or a hydrate or solvate of the prodrug or pharmaceutically acceptable salt, (wherein, R 1 represents a hydrogen atom, or a C1-C6 alkyl group; W represents a divalent group comprising a tertiary amino group or a divalent group comprising a sulfonyl group, and Y represents a residue of a compound represented by Y—OH comprising an alcoholic hydroxyl group, wherein said Y—OH is a camptothecin, a taxane, or an anticancer nucleotide).

  本发明的胰腺癌、卵巢癌或肝癌的预防或治疗剂包括以下式子1所描述的水溶性前药，或其药学上可接受的盐、水合物或溶剂化物（其中，R1代表氢原子或C1-C6烷基；W代表含有三级胺基的二价基团或含有磺酰基的二价基团，而Y代表一个化合物残基，该化合物残基由含有醇羟基的Y—OH所表示，其中所述的Y—OH是一种喜树碱、紫杉醇或抗癌核苷酸）。
• NOVEL WATER-SOLUBLE PRODRUG
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1757609B1

  公开（公告）日：2013-10-16
• CONDENSED CAMPTOTHECINS AS ANTITUMOR AGENTS
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1480984A2

  公开（公告）日：2004-12-01
• HEXACYCLIC COMPOUNDS
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1480984B9

  公开（公告）日：2009-03-11