(3,5-Dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate (BioDeep_00000172640)

   

human metabolite blood metabolite


代谢物信息卡片


(3,5-Dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylic acid

化学式: C22H21Cl2N3O5 (477.08581960000004)
中文名称: 4-[3-氧代-3-(2-氧代-2,3-二氢苯并恶唑-6-基)丙基]哌嗪-1-羧酸 3,5-二氯苄酯
谱图信息: 最多检出来源 Homo sapiens(blood) 66.67%

分子结构信息

SMILES: C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)NC(=O)O3)C(=O)OCC4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)

描述信息

同义名列表

5 个代谢物同义名

(3,5-Dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylic acid; (3,5-Dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate; (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate; 6-(3-(Piperazin-1-yl)propanoyl)benzo(D)oxazol-2(3H)-one; PF-8380



数据库引用编号

5 个数据库交叉引用编号

分类词条

相关代谢途径

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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)

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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

  • Himi Tripathi, Ahmed Al-Darraji, Mohamed Abo-Aly, Hsuan Peng, Elica Shokri, Lakshman Chelvarajan, Renee R Donahue, Bryana M Levitan, Erhe Gao, Gabriela Hernandez, Andrew J Morris, Susan S Smyth, Ahmed Abdel-Latif. Autotaxin inhibition reduces cardiac inflammation and mitigates adverse cardiac remodeling after myocardial infarction. Journal of molecular and cellular cardiology. 2020 12; 149(?):95-114. doi: 10.1016/j.yjmcc.2020.09.011. [PMID: 33017574]
  • Hongrui Lei, Changtao Li, Yu Yang, Fang Jia, Ming Guo, Minglin Zhu, Nan Jiang, Xin Zhai. Structure guided design of potent indole-based ATX inhibitors bearing hydrazone moiety with tumor suppression effects. European journal of medicinal chemistry. 2020 Sep; 201(?):112456. doi: 10.1016/j.ejmech.2020.112456. [PMID: 32535330]
  • Hongrui Lei, Ming Guo, Xiaopeng Li, Fang Jia, Changtao Li, Yu Yang, Meng Cao, Nan Jiang, Enlong Ma, Xin Zhai. Discovery of Novel Indole-Based Allosteric Highly Potent ATX Inhibitors with Great In Vivo Efficacy in a Mouse Lung Fibrosis Model. Journal of medicinal chemistry. 2020 07; 63(13):7326-7346. doi: 10.1021/acs.jmedchem.0c00506. [PMID: 32479084]
  • Kaori Fukushima, Shiho Otagaki, Kaede Takahashi, Kanako Minami, Kaichi Ishimoto, Nobuyuki Fukushima, Kanya Honoki, Toshifumi Tsujiuchi. Promotion of cell-invasive activity through the induction of LPA receptor-1 in pancreatic cancer cells. Journal of receptor and signal transduction research. 2018 Aug; 38(4):367-371. doi: 10.1080/10799893.2018.1531889. [PMID: 30396320]
  • Aikaterini Nikolaou, Ioanna Ninou, Maroula G Kokotou, Eleanna Kaffe, Antreas Afantitis, Vassilis Aidinis, George Kokotos. Hydroxamic Acids Constitute a Novel Class of Autotaxin Inhibitors that Exhibit in Vivo Efficacy in a Pulmonary Fibrosis Model. Journal of medicinal chemistry. 2018 04; 61(8):3697-3711. doi: 10.1021/acs.jmedchem.8b00232. [PMID: 29620892]
  • Anand Balupuri, Dae-Yon Lee, Myeong Hwi Lee, Sangeun Chae, Eunmi Jung, Yunki Kim, Jeonghee Ryu, Nam Sook Kang. Design, synthesis, docking and biological evaluation of 4-phenyl-thiazole derivatives as autotaxin (ATX) inhibitors. Bioorganic & medicinal chemistry letters. 2017 09; 27(17):4156-4164. doi: 10.1016/j.bmcl.2017.07.022. [PMID: 28743508]
  • Eleanna Kaffe, Aggeliki Katsifa, Nikos Xylourgidis, Ioanna Ninou, Markella Zannikou, Vaggelis Harokopos, Pelagia Foka, Alexios Dimitriadis, Kostas Evangelou, Anargyros N Moulas, Urania Georgopoulou, Vassilis G Gorgoulis, George N Dalekos, Vassilis Aidinis. Hepatocyte autotaxin expression promotes liver fibrosis and cancer. Hepatology (Baltimore, Md.). 2017 04; 65(4):1369-1383. doi: 10.1002/hep.28973. [PMID: 27981605]
  • Willem-Jan Keune, Frances Potjewyd, Tatjana Heidebrecht, Fernando Salgado-Polo, Simon J F Macdonald, Lakshman Chelvarajan, Ahmed Abdel Latif, Sony Soman, Andrew J Morris, Allan J B Watson, Craig Jamieson, Anastassis Perrakis. Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators. Journal of medicinal chemistry. 2017 03; 60(5):2006-2017. doi: 10.1021/acs.jmedchem.6b01743. [PMID: 28165241]
  • Lisa M Miller, Willem-Jan Keune, Diana Castagna, Louise C Young, Emma L Duffy, Frances Potjewyd, Fernando Salgado-Polo, Paloma Engel García, Dima Semaan, John M Pritchard, Anastassis Perrakis, Simon J F Macdonald, Craig Jamieson, Allan J B Watson. Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode. Journal of medicinal chemistry. 2017 01; 60(2):722-748. doi: 10.1021/acs.jmedchem.6b01597. [PMID: 27982588]
  • Pritom Shah, Anne Cheasty, Caroline Foxton, Tony Raynham, Muddasar Farooq, Irene Farre Gutierrez, Aurore Lejeune, Michelle Pritchard, Andrew Turnbull, Leon Pang, Paul Owen, Susan Boyd, Alexandra Stowell, Allan Jordan, Niall M Hamilton, James R Hitchin, Martin Stockley, Ellen MacDonald, Mar Jimenez Quesada, Elisabeth Trivier, Jana Skeete, Huib Ovaa, Wouter H Moolenaar, Hamish Ryder. Discovery of potent inhibitors of the lysophospholipase autotaxin. Bioorganic & medicinal chemistry letters. 2016 11; 26(22):5403-5410. doi: 10.1016/j.bmcl.2016.10.036. [PMID: 27780639]
  • Lauren E Ragle, Dilip J Palanisamy, Margaux J Joe, Rachel S Stein, Derek D Norman, Gabor Tigyi, Daniel L Baker, Abby L Parrill. Discovery and synthetic optimization of a novel scaffold for hydrophobic tunnel-targeted autotaxin inhibition. Bioorganic & medicinal chemistry. 2016 10; 24(19):4660-4674. doi: 10.1016/j.bmc.2016.08.004. [PMID: 27544588]
  • Mandi M Murph, Guowei W Jiang, Molly K Altman, Wei Jia, Duy T Nguyen, Jada M Fambrough, William J Hardman, Ha T Nguyen, Sterling K Tran, Ali A Alshamrani, Damian Madan, Jianxing Zhang, Glenn D Prestwich. Vinyl sulfone analogs of lysophosphatidylcholine irreversibly inhibit autotaxin and prevent angiogenesis in melanoma. Bioorganic & medicinal chemistry. 2015 Sep; 23(17):5999-6013. doi: 10.1016/j.bmc.2015.06.054. [PMID: 26190462]
  • Mohamad Navab, Arnab Chattopadhyay, Greg Hough, David Meriwether, Spencer I Fogelman, Alan C Wagner, Victor Grijalva, Feng Su, G M Anantharamaiah, Lin H Hwang, Kym F Faull, Srinivasa T Reddy, Alan M Fogelman. Source and role of intestinally derived lysophosphatidic acid in dyslipidemia and atherosclerosis. Journal of lipid research. 2015 Apr; 56(4):871-87. doi: 10.1194/jlr.m056614. [PMID: 25646365]
  • Abdel K Salous, Manikandan Panchatcharam, Manjula Sunkara, Paul Mueller, Anping Dong, Yuhuan Wang, Gregory A Graf, Susan S Smyth, Andrew J Morris. Mechanism of rapid elimination of lysophosphatidic acid and related lipids from the circulation of mice. Journal of lipid research. 2013 Oct; 54(10):2775-84. doi: 10.1194/jlr.m039685. [PMID: 23948545]
  • James Gierse, Atli Thorarensen, Konstantine Beltey, Erica Bradshaw-Pierce, Luz Cortes-Burgos, Troii Hall, Amy Johnston, Michael Murphy, Olga Nemirovskiy, Shinji Ogawa, Lyle Pegg, Matthew Pelc, Michael Prinsen, Mark Schnute, Jay Wendling, Steve Wene, Robin Weinberg, Arthur Wittwer, Ben Zweifel, Jaime Masferrer. A novel autotaxin inhibitor reduces lysophosphatidic acid levels in plasma and the site of inflammation. The Journal of pharmacology and experimental therapeutics. 2010 Jul; 334(1):310-7. doi: 10.1124/jpet.110.165845. [PMID: 20392816]