Aldoxorubicin (BioDeep_00000175844)

   

human metabolite blood metabolite


代谢物信息卡片


N-(1-{4-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-hydroxyethylidene)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazonate

化学式: C37H42N4O13 (750.2748242)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 50%

分子结构信息

SMILES: COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N)C(O)C(C)O4)C3=C1O)C(CO)=NNC(=O)CCCCCN1C(=O)C=CC1=O)C2=O
InChI: InChI=1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)

描述信息

同义名列表

8 个代谢物同义名

N-(1-{4-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-hydroxyethylidene)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazonate; N-(1-{4-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-hydroxyethylidene)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide; N-(1-{4-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl}-2-hydroxyethylidene)-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide; Doxorubicin(6-maleimidocaproyl)hydrazone; Aldoxorubicin; MC-DOXHZN; INNO-206; Aldoxo



数据库引用编号

2 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Koichi Sasaki, Jun Ishihara, Ako Ishihara, Risako Miura, Aslan Mansurov, Kazuto Fukunaga, Jeffrey A Hubbell. Engineered collagen-binding serum albumin as a drug conjugate carrier for cancer therapy. Science advances. 2019 08; 5(8):eaaw6081. doi: 10.1126/sciadv.aaw6081. [PMID: 31453327]
  • Parisa Yousefpour, Lucie Ahn, Joel Tewksbury, Soumen Saha, Simone A Costa, Joseph J Bellucci, Xinghai Li, Ashutosh Chilkoti. Conjugate of Doxorubicin to Albumin-Binding Peptide Outperforms Aldoxorubicin. Small (Weinheim an der Bergstrasse, Germany). 2019 03; 15(12):e1804452. doi: 10.1002/smll.201804452. [PMID: 30756483]
  • Monica M Mita, Ronald B Natale, Edward M Wolin, Brenda Laabs, Hillary Dinh, Scott Wieland, Daniel J Levitt, Alain C Mita. Pharmacokinetic study of aldoxorubicin in patients with solid tumors. Investigational new drugs. 2015 Apr; 33(2):341-8. doi: 10.1007/s10637-014-0183-5. [PMID: 25388939]
  • R Graeser, N Esser, H Unger, I Fichtner, A Zhu, C Unger, F Kratz. INNO-206, the (6-maleimidocaproyl hydrazone derivative of doxorubicin), shows superior antitumor efficacy compared to doxorubicin in different tumor xenograft models and in an orthotopic pancreas carcinoma model. Investigational new drugs. 2010 Feb; 28(1):14-9. doi: 10.1007/s10637-008-9208-2. [PMID: 19148580]
  • Carla Boga, Luigi Fiume, Michele Baglioni, Carlo Bertucci, Claudio Farina, Felix Kratz, Marcella Manerba, Marina Naldi, Giuseppina Di Stefano. Characterisation of the conjugate of the (6-maleimidocaproyl)hydrazone derivative of doxorubicin with lactosaminated human albumin by 13C NMR spectroscopy. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences. 2009 Oct; 38(3):262-9. doi: 10.1016/j.ejps.2009.08.001. [PMID: 19695327]
  • Dirk Lebrecht, Andrea Geist, Uwe-Peter Ketelsen, Jörg Haberstroh, Bernhard Setzer, Felix Kratz, Ulrich A Walker. The 6-maleimidocaproyl hydrazone derivative of doxorubicin (DOXO-EMCH) is superior to free doxorubicin with respect to cardiotoxicity and mitochondrial damage. International journal of cancer. 2007 Feb; 120(4):927-34. doi: 10.1002/ijc.22409. [PMID: 17131338]
  • F Kratz, G Ehling, H M Kauffmann, C Unger. Acute and repeat-dose toxicity studies of the (6-maleimidocaproyl)hydrazone derivative of doxorubicin (DOXO-EMCH), an albumin-binding prodrug of the anticancer agent doxorubicin. Human & experimental toxicology. 2007 Jan; 26(1):19-35. doi: 10.1177/0960327107073825. [PMID: 17334177]