Epothilone D (BioDeep_00001871397)
Main id: BioDeep_00000009054
代谢物信息卡片
化学式: C27H41NO5S (491.2705296000001)
中文名称: 埃博霉素
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C/C/1=C/C[C@@H](/C(=C/c2csc(C)n2)/C)OC(=O)C[C@@H](C(C)(C)C(=O)[C@H](C)[C@H]([C@@H](C)CCC1)O)O
InChI: InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
描述信息
An epithilone that is epithilone C in which the hydrogen at position 13 of the oxacyclohexadec-13-ene-2,6-dione macrocycle has been replaced by a methyl group.
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators
D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents
同义名列表
2 个代谢物同义名
数据库引用编号
13 个数据库交叉引用编号
- ChEBI: CHEBI:29579
- KEGG: C12039
- PubChem: 447865
- DrugBank: DB01873
- ChEMBL: CHEMBL96172
- LipidMAPS: LMPK04000001
- KNApSAcK: C00028253
- CAS: 189453-10-9
- MetaboLights: MTBLC29579
- PubChem: 14194
- PDB-CCD: EPD
- NIKKAJI: J1.005.244K
- RefMet: Epothilone D
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)
4 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
- Min Zhao, Qiaoqiao Chang, Hua Yang, Min Wang, Yongfeng Liu, Na Lv, Qiang Lei, Hongen Wei. Epothilone D Modulates Autism-like Behaviors in the BTBR Mouse Model of Autism Spectrum Disorder.
Neuroscience.
2022 05; 490(?):171-181. doi:
10.1016/j.neuroscience.2022.02.025. [PMID: 35227832] - Bryan A Killinger, Anna Moszczynska. Epothilone D prevents binge methamphetamine-mediated loss of striatal dopaminergic markers.
Journal of neurochemistry.
2016 Feb; 136(3):510-25. doi:
10.1111/jnc.13391. [PMID: 26465779] - Long Yuan, Yunlin Fu, Duxi Zhang, Yuan-Qing Xia, Qianping Peng, Anne-Françoise Aubry, Mark E Arnold. Use of a carboxylesterase inhibitor of phenylmethanesulfonyl fluoride to stabilize epothilone D in rat plasma for a validated UHPLC-MS/MS assay.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2014 Oct; 969(?):60-8. doi:
10.1016/j.jchromb.2014.08.006. [PMID: 25151331] - Ludger A Wessjohann, Günther O Scheid, Uwe Eichelberger, Sumaira Umbreen. Total synthesis of epothilone D: the nerol/macroaldolization approach.
The Journal of organic chemistry.
2013 Nov; 78(21):10588-95. doi:
10.1021/jo401355r. [PMID: 24079664] - J Paul Monk, Miguel Villalona-Calero, Joe Larkin, Greg Otterson, David S Spriggs, Alison L Hannah, Gillian F Cropp, Robert G Johnson, Martee L Hensley. A phase 1 study of KOS-862 (Epothilone D) co-administered with carboplatin (Paraplatin®) in patients with advanced solid tumors.
Investigational new drugs.
2012 Aug; 30(4):1676-83. doi:
10.1007/s10637-011-9731-4. [PMID: 21826439] - Kurt R Brunden, Yuemang Yao, Justin S Potuzak, Nuria Ibarz Ferrer, Carlo Ballatore, Michael J James, Anne-Marie L Hogan, John Q Trojanowski, Amos B Smith, Virginia M-Y Lee. The characterization of microtubule-stabilizing drugs as possible therapeutic agents for Alzheimer's disease and related tauopathies.
Pharmacological research.
2011 Apr; 63(4):341-51. doi:
10.1016/j.phrs.2010.12.002. [PMID: 21163349] - Chunling Zhang, Lanjiao Zhao, Wenyuan Qi, Zhiyun Meng, Guoxiang Sun, Guifang Dou. Simultaneous determination of epothilone D and its hydrolytic metabolite in human plasma by high performance liquid chromatography-tandem mass spectrometry for pharmacokinetic studies.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2009 Nov; 877(29):3748-52. doi:
10.1016/j.jchromb.2009.08.052. [PMID: 19775943] - Shuang-Qing Zhang, Harsha Vinnakota, Jae-Chul Jung, Paulo Carvalho, Amar G Chittiboyina, Mitchell A Avery, Bonnie A Avery. Determination of a novel epothilone D analog (AV-EPO-106) in human plasma using ultra-performance liquid chromatography-tandem mass spectrometry.
Biomedical chromatography : BMC.
2009 Mar; 23(3):302-7. doi:
10.1002/bmc.1114. [PMID: 18800336] - Zhi Wang, Hui Wang, Julie K Rhie, Joseph M Covey, Ping Liang, Shuyi Wang, Chun Wang, Yanxue Hu, Gautam Prasad, Li Nan, Donald L Hill, Ruiwen Zhang. Determination of desoxyepothilone B in nude mice plasma by liquid-liquid extraction and reversed-phase high-performance liquid chromatography.
Journal of pharmaceutical and biomedical analysis.
2006 Sep; 42(2):272-6. doi:
10.1016/j.jpba.2006.02.047. [PMID: 16616824] - Hui Wang, Zhi Wang, Shuyi Wang, Mao Li, Li Nan, Julie K Rhie, Joseph M Covey, Ruiwen Zhang, Donald L Hill. Preclinical pharmacology of epothilone D, a novel tubulin-stabilizing antitumor agent.
Cancer chemotherapy and pharmacology.
2005 Sep; 56(3):255-60. doi:
10.1007/s00280-004-0965-0. [PMID: 15868148] - Gerd Hause, Sandra Lischewski, Ludger A Wessjohann, Bettina Hause. Epothilone D affects cell cycle and microtubular pattern in plant cells.
Journal of experimental botany.
2005 Aug; 56(418):2131-7. doi:
10.1093/jxb/eri211. [PMID: 15967777] - M D Chappell, S J Stachel, C B Lee, S J Danishefsky. En route to a plant scale synthesis of the promising antitumor agent 12,13-desoxyepothilone B.
Organic letters.
2000 Jun; 2(11):1633-6. doi:
10.1021/ol0059302. [PMID: 10841497]