CPI-613 (BioDeep_00000784447)
代谢物信息卡片
化学式: C22H28O2S2 (388.1530628)
中文名称: 6,8-双(苄硫基)辛酸
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2
InChI: InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)
描述信息
C26170 - Protective Agent > C275 - Antioxidant
Devimistat (CPI-613) is a mitochondrial metabolism inhibitor. Devimistat is a lipoic acid antagonist that abrogates mitochondrial energy metabolism to induce apoptosis in various cancer cells[1].
同义名列表
3 个代谢物同义名
数据库引用编号
5 个数据库交叉引用编号
- PubChem: 24770514
- DrugBank: DB12109
- ChEMBL: CHEMBL3186849
- CAS: 95809-78-2
- medchemexpress: HY-15453
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)
0 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
- Xiang Gao, Haonan Li, Siyu Wang, Xiaokang Long, Xuehai Guo, Huiming Hua, Dahong Li. Discovery of sinomenine/8-Bis(benzylthio)octanoic acid hybrids as potential anti-leukemia drug candidate via mitochondrial pathway.
Bioorganic & medicinal chemistry letters.
2023 Nov; 97(?):129545. doi:
10.1016/j.bmcl.2023.129545. [PMID: 37939862] - Vijay Bhasker Reddy, Lakmal Boteju, Asela Boteju, Li Shen, Kelem Kassahun, Nageshwar Reddy, Adrian Sheldon, Sanjeev Luther, Ke Hu. In Vitro and In Vivo Metabolism of a Novel Antimitochondrial Cancer Metabolism Agent, CPI-613, in Rat and Human.
Drug metabolism and disposition: the biological fate of chemicals.
2022 04; 50(4):361-373. doi:
10.1124/dmd.121.000726. [PMID: 35086846] - Nageswara Rao Reddy, Vijay Reddy, Asela Boteju, Lakmal Boteju, Troy Voelker, Sherry Liu, Ke Hu. Development and validation of an LC-MS/MS method for determination of a novel anticancer agent (CPI-613) in human plasma.
Bioanalysis.
2022 Mar; 14(5):253-266. doi:
10.4155/bio-2021-0270. [PMID: 35172610] - Moises O Guardado Rivas, Shawn D Stuart, Daniel Thach, Michael Dahan, Robert Shorr, Zuzana Zachar, Paul M Bingham. Evidence for a novel, effective approach to targeting carcinoma catabolism exploiting the first-in-class, anti-cancer mitochondrial drug, CPI-613.
PloS one.
2022; 17(6):e0269620. doi:
10.1371/journal.pone.0269620. [PMID: 35675354] - Edward R Smith, Timothy D Hewitson. TGF-β1 is a regulator of the pyruvate dehydrogenase complex in fibroblasts.
Scientific reports.
2020 10; 10(1):17914. doi:
10.1038/s41598-020-74919-8. [PMID: 33087819] - Lixia Gao, Zhigang Xu, Zheng Huang, Yan Tang, Donglin Yang, Jiuhong Huang, Leilei He, Manran Liu, Zhongzhu Chen, Yong Teng. CPI-613 rewires lipid metabolism to enhance pancreatic cancer apoptosis via the AMPK-ACC signaling.
Journal of experimental & clinical cancer research : CR.
2020 Apr; 39(1):73. doi:
10.1186/s13046-020-01579-x. [PMID: 32345326] - Angela Alistar, Bonny B Morris, Rodwige Desnoyer, Heidi D Klepin, Keyanoosh Hosseinzadeh, Clancy Clark, Amy Cameron, John Leyendecker, Ralph D'Agostino, Umit Topaloglu, Lakmal W Boteju, Asela R Boteju, Rob Shorr, Zuzana Zachar, Paul M Bingham, Tamjeed Ahmed, Sandrine Crane, Riddhishkumar Shah, John J Migliano, Timothy S Pardee, Lance Miller, Gregory Hawkins, Guangxu Jin, Wei Zhang, Boris Pasche. Safety and tolerability of the first-in-class agent CPI-613 in combination with modified FOLFIRINOX in patients with metastatic pancreatic cancer: a single-centre, open-label, dose-escalation, phase 1 trial.
The Lancet. Oncology.
2017 06; 18(6):770-778. doi:
10.1016/s1470-2045(17)30314-5. [PMID: 28495639] - King C Lee, Robert Shorr, Robert Rodriguez, Claudia Maturo, Lakmal W Boteju, Adrian Sheldon. Formation and anti-tumor activity of uncommon in vitro and in vivo metabolites of CPI-613, a novel anti-tumor compound that selectively alters tumor energy metabolism.
Drug metabolism letters.
2011 Aug; 5(3):163-82. doi:
10.2174/187231211796904991. [PMID: 21722089]