2-(2-Chloro-4-fluorobenzyl)-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole (BioDeep_00000175344)

   

human metabolite blood metabolite


代谢物信息卡片


2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole

化学式: C21H12ClF5N2 (422.0609122)
中文名称: 2-[(2-氯-4-氟苯基)甲基]-3-(4-氟苯基)-7-(三氟甲基)-2H-吲唑
谱图信息: 最多检出来源 Homo sapiens(blood) 85.71%

分子结构信息

SMILES: C1=CC2=C(N(N=C2C(=C1)C(F)(F)F)CC3=C(C=C(C=C3)F)Cl)C4=CC=C(C=C4)F
InChI: InChI=1S/C21H12ClF5N2/c22-18-10-15(24)9-6-13(18)11-29-20(12-4-7-14(23)8-5-12)16-2-1-3-17(19(16)28-29)21(25,26)27/h1-10H,11H2

描述信息

LXR-623 is a brain-penetrant partial LXRα and full LXRβ agonist, with IC50s of 24 nM and 179 nM, respectively.

同义名列表

6 个代谢物同义名

2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole; 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)indazole; 2-(2-Chloro-4-fluorobenzyl)-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole; WAY 252623; LXR-623; LXR 623



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

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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)

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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

  • Jing Zeng, Daitze Wu, Hui Hu, John A T Young, Zhipeng Yan, Lu Gao. Activation of the Liver X Receptor Pathway Inhibits HBV Replication in Primary Human Hepatocytes. Hepatology (Baltimore, Md.). 2020 12; 72(6):1935-1948. doi: 10.1002/hep.31217. [PMID: 32145089]
  • Zizhen Zhang, Hao Chen, Ziyang Chen, Peng Ding, Yingchen Ju, Qiong Gu, Jun Xu, Huihao Zhou. Identify liver X receptor β modulator building blocks by developing a fluorescence polarization-based competition assay. European journal of medicinal chemistry. 2019 Sep; 178(?):458-467. doi: 10.1016/j.ejmech.2019.06.011. [PMID: 31202993]
  • Guangzhen Wu, Qinglian Wang, Yingkun Xu, Jianyi Li, Hongge Zhang, Guanghui Qi, Qinghua Xia. Targeting the transcription factor receptor LXR to treat clear cell renal cell carcinoma: agonist or inverse agonist?. Cell death & disease. 2019 05; 10(6):416. doi: 10.1038/s41419-019-1654-6. [PMID: 31138790]
  • Enyuan Cao, Anna Lindgren, Sofia Martinsson, Luojuan Hu, Lennart Lindfors, Kalle Sigfridsson, Urban Skantze, Erik Michaëlsson, Natalie L Trevaskis, Christopher J H Porter. Promoting intestinal lymphatic transport targets a liver-X receptor (LXR) agonist (WAY-252,623) to lymphocytes and enhances immunomodulation. Journal of controlled release : official journal of the Controlled Release Society. 2019 02; 296(?):29-39. doi: 10.1016/j.jconrel.2019.01.002. [PMID: 30611901]
  • Pascal Heitel, Janosch Achenbach, Daniel Moser, Ewgenij Proschak, Daniel Merk. DrugBank screening revealed alitretinoin and bexarotene as liver X receptor modulators. Bioorganic & medicinal chemistry letters. 2017 03; 27(5):1193-1198. doi: 10.1016/j.bmcl.2017.01.066. [PMID: 28169169]
  • Jing-Zhong Wang, Yan Fang, Wei-Dong Ji, Hui Xu. LXR agonists promote the proliferation of neural progenitor cells through MEK-ERK pathway. Biochemical and biophysical research communications. 2017 01; 483(1):216-222. doi: 10.1016/j.bbrc.2016.12.163. [PMID: 28034754]
  • Baihua Hu, Rayomand J Unwalla, Igor Goljer, James W Jetter, Elaine M Quinet, Thomas J Berrodin, Michael D Basso, Irene B Feingold, Annika Goos Nilsson, Anna Wilhelmsson, Mark J Evans, Jay E Wrobel. Identification of phenylsulfone-substituted quinoxaline (WYE-672) as a tissue selective liver X-receptor (LXR) agonist. Journal of medicinal chemistry. 2010 Apr; 53(8):3296-304. doi: 10.1021/jm100034x. [PMID: 20350005]
  • Elaine M Quinet, Michael D Basso, Anita R Halpern, David W Yates, Robert J Steffan, Valerie Clerin, Christine Resmini, James C Keith, Thomas J Berrodin, Irene Feingold, Wenyan Zhong, Helen B Hartman, Mark J Evans, Stephen J Gardell, Elizabeth DiBlasio-Smith, William M Mounts, Edward R LaVallie, Jay Wrobel, Ponnal Nambi, George P Vlasuk. LXR ligand lowers LDL cholesterol in primates, is lipid neutral in hamster, and reduces atherosclerosis in mouse. Journal of lipid research. 2009 Dec; 50(12):2358-70. doi: 10.1194/jlr.m900037-jlr200. [PMID: 19318684]
  • Jay Wrobel, Robert Steffan, S Marc Bowen, Ronald Magolda, Edward Matelan, Rayomand Unwalla, Michael Basso, Valerie Clerin, Stephen J Gardell, Ponnal Nambi, Elaine Quinet, Jason I Reminick, George P Vlasuk, Shuguang Wang, Irene Feingold, Christine Huselton, Tomas Bonn, Mathias Farnegardh, Tomas Hansson, Annika Goos Nilsson, Anna Wilhelmsson, Edouard Zamaratski, Mark J Evans. Indazole-based liver X receptor (LXR) modulators with maintained atherosclerotic lesion reduction activity but diminished stimulation of hepatic triglyceride synthesis. Journal of medicinal chemistry. 2008 Nov; 51(22):7161-8. doi: 10.1021/jm800799q. [PMID: 18973288]