N,N'-[Sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide) (BioDeep_00000176805)

   

human metabolite blood metabolite


代谢物信息卡片


N-(5-{2-[(2-{5-[(1-hydroxy-2-phenylethylidene)amino]-1,3,4-thiadiazol-2-yl}ethyl)sulphanyl]ethyl}-1,3,4-thiadiazol-2-yl)-2-phenylethanimidic acid

化学式: C24H24N6O2S3 (524.1122803999999)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 75%

分子结构信息

SMILES: C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4
InChI: InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)

描述信息

BPTES is an allosteric and selective glutaminase inhibitor with an IC50 of 0.16 μM.

同义名列表

6 个代谢物同义名

N-(5-{2-[(2-{5-[(1-hydroxy-2-phenylethylidene)amino]-1,3,4-thiadiazol-2-yl}ethyl)sulphanyl]ethyl}-1,3,4-thiadiazol-2-yl)-2-phenylethanimidic acid; N-(5-{2-[(2-{5-[(1-hydroxy-2-phenylethylidene)amino]-1,3,4-thiadiazol-2-yl}ethyl)sulfanyl]ethyl}-1,3,4-thiadiazol-2-yl)-2-phenylethanimidic acid; N-(5-{2-[(2-{5-[(1-hydroxy-2-phenylethylidene)amino]-1,3,4-thiadiazol-2-yl}ethyl)sulphanyl]ethyl}-1,3,4-thiadiazol-2-yl)-2-phenylethanimidate; N-(5-{2-[(2-{5-[(1-hydroxy-2-phenylethylidene)amino]-1,3,4-thiadiazol-2-yl}ethyl)sulfanyl]ethyl}-1,3,4-thiadiazol-2-yl)-2-phenylethanimidate; N,N-[Sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide); BPTES



数据库引用编号

6 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。

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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

  • Bridget Duvall, Sarah C Zimmermann, Run-Duo Gao, Ajit G Thomas, Filip Kalčic, Vijayabhaskar Veeravalli, Amira Elgogary, Rana Rais, Camilo Rojas, Anne Le, Barbara S Slusher, Takashi Tsukamoto. Allosteric kidney-type glutaminase (GLS) inhibitors with a mercaptoethyl linker. Bioorganic & medicinal chemistry. 2020 10; 28(20):115698. doi: 10.1016/j.bmc.2020.115698. [PMID: 33069080]
  • Zhao Chen, Di Li, Ning Xu, Jinzhang Fang, Yan Yu, Wei Hou, Haoqiang Ruan, Panpan Zhu, Renchao Ma, Shiying Lu, Danhui Cao, Rui Wu, Mowei Ni, Wei Zhang, Weike Su, Benfang Helen Ruan. Novel 1,3,4-Selenadiazole-Containing Kidney-Type Glutaminase Inhibitors Showed Improved Cellular Uptake and Antitumor Activity. Journal of medicinal chemistry. 2019 01; 62(2):589-603. doi: 10.1021/acs.jmedchem.8b01198. [PMID: 30543285]
  • Sarah C Zimmermann, Bridget Duvall, Takashi Tsukamoto. Recent Progress in the Discovery of Allosteric Inhibitors of Kidney-Type Glutaminase. Journal of medicinal chemistry. 2019 01; 62(1):46-59. doi: 10.1021/acs.jmedchem.8b00327. [PMID: 29969024]
  • Teng-Kuang Yeh, Ching-Chuan Kuo, Yue-Zhi Lee, Yi-Yu Ke, Kuang-Feng Chu, Hsing-Yu Hsu, Hsin-Yu Chang, Yu-Wei Liu, Jen-Shin Song, Cheng-Wei Yang, Li-Mei Lin, Manwu Sun, Szu-Huei Wu, Po-Chu Kuo, Chuan Shih, Chiung-Tong Chen, Lun Kelvin Tsou, Shiow-Ju Lee. Design, Synthesis, and Evaluation of Thiazolidine-2,4-dione Derivatives as a Novel Class of Glutaminase Inhibitors. Journal of medicinal chemistry. 2017 07; 60(13):5599-5612. doi: 10.1021/acs.jmedchem.7b00282. [PMID: 28609101]
  • Li Cheng, Can-Rong Wu, Li-Han Zhu, Hua Li, Li-Xia Chen. Physapubescin, a natural withanolide as a kidney-type glutaminase (KGA) inhibitor. Bioorganic & medicinal chemistry letters. 2017 03; 27(5):1243-1246. doi: 10.1016/j.bmcl.2017.01.057. [PMID: 28174105]
  • Lee A McDermott, Prema Iyer, Larry Vernetti, Shawn Rimer, Jingran Sun, Melissa Boby, Tianyi Yang, Michael Fioravanti, Jason O'Neill, Liwei Wang, Dylan Drakes, William Katt, Qingqiu Huang, Richard Cerione. Design and evaluation of novel glutaminase inhibitors. Bioorganic & medicinal chemistry. 2016 Apr; 24(8):1819-39. doi: 10.1016/j.bmc.2016.03.009. [PMID: 26988803]
  • Krupa Shukla, Dana V Ferraris, Ajit G Thomas, Marigo Stathis, Bridget Duvall, Greg Delahanty, Jesse Alt, Rana Rais, Camilo Rojas, Ping Gao, Yan Xiang, Chi V Dang, Barbara S Slusher, Takashi Tsukamoto. Design, synthesis, and pharmacological evaluation of bis-2-(5-phenylacetamido-1,2,4-thiadiazol-2-yl)ethyl sulfide 3 (BPTES) analogs as glutaminase inhibitors. Journal of medicinal chemistry. 2012 Dec; 55(23):10551-63. doi: 10.1021/jm301191p. [PMID: 23151085]