2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one (BioDeep_00000179908)

   

human metabolite blood metabolite


代谢物信息卡片


2-[(6-amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one

化学式: C22H19N7O (397.16510040000003)
中文名称: IC-87114
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N
InChI: InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)

描述信息

同义名列表

6 个代谢物同义名

2-[(6-amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one; 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one; 2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one; IC 87114; IC-87114; IC87114



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

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)

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

  • Hyun-Kyoung Kim, Geum-Hwa Lee, Kashi Raj Bhattarai, Raghu Patil Junjappa, Hwa-Young Lee, Mallikarjun Handigund, Anu Marahatta, Bidur Bhandary, In-Hwan Baek, Jae Sung Pyo, Hye-Kyung Kim, Ok Hee Chai, Hyung-Ryong Kim, Yong-Chul Lee, Han-Jung Chae. PI3Kδ contributes to ER stress-associated asthma through ER-redox disturbances: the involvement of the RIDD-RIG-I-NF-κB axis. Experimental & molecular medicine. 2018 02; 50(2):e444. doi: 10.1038/emm.2017.270. [PMID: 29504610]
  • J Sun, S Mohlin, A Lundby, J U Kazi, U Hellman, S Påhlman, J V Olsen, L Rönnstrand. The PI3-kinase isoform p110δ is essential for cell transformation induced by the D816V mutant of c-Kit in a lipid-kinase-independent manner. Oncogene. 2014 Nov; 33(46):5360-9. doi: 10.1038/onc.2013.479. [PMID: 24213578]
  • Yanxia Wang, Lei Zhang, Ping Wei, Huailiang Zhang, Cuijie Liu. Inhibition of PI3Kδ improves systemic lupus in mice. Inflammation. 2014 Jun; 37(3):978-83. doi: 10.1007/s10753-014-9818-0. [PMID: 24445960]
  • Anu Marahatta, Bidur Bhandary, Yong-Chul Lee, So-Ri Kim, Han-Jung Chae. Development and validation of a highly sensitive LC-MS/MS method for quantification of IC87114 in mice plasma, bronchoalveolar lavage and lung samples: Application to pharmacokinetic study. Journal of pharmaceutical and biomedical analysis. 2014 Feb; 89(?):197-202. doi: 10.1016/j.jpba.2013.11.002. [PMID: 24291111]
  • Satheeshmanikandan R S Thappali, Kanthikiran V S Varanasi, Sridhar Veeraraghavan, Swaroop Kumar V S Vakkalanka, K Mukkanti. Simultaneous quantitation of IC87114, roflumilast and its active metabolite roflumilast N-oxide in plasma by LC-MS/MS: application for a pharmacokinetic study. Journal of mass spectrometry : JMS. 2012 Dec; 47(12):1612-9. doi: 10.1002/jms.3103. [PMID: 23280750]
  • Giovanna Bergamini, Kathryn Bell, Satoko Shimamura, Thilo Werner, Andrew Cansfield, Katrin Müller, Jessica Perrin, Christina Rau, Katie Ellard, Carsten Hopf, Carola Doce, Daniel Leggate, Raffaella Mangano, Toby Mathieson, Alison O'Mahony, Ivan Plavec, Faiza Rharbaoui, Friedrich Reinhard, Mikhail M Savitski, Nigel Ramsden, Emilio Hirsch, Gerard Drewes, Oliver Rausch, Marcus Bantscheff, Gitte Neubauer. A selective inhibitor reveals PI3Kγ dependence of T(H)17 cell differentiation. Nature chemical biology. 2012 Apr; 8(6):576-82. doi: 10.1038/nchembio.957. [PMID: 22544264]
  • Tara M Randis, Kamal D Puri, Hairu Zhou, Thomas G Diacovo. Role of PI3Kdelta and PI3Kgamma in inflammatory arthritis and tissue localization of neutrophils. European journal of immunology. 2008 May; 38(5):1215-24. doi: 10.1002/eji.200838266. [PMID: 18412166]
  • Kyung Sun Lee, Seoung Ju Park, So Ri Kim, Kyung Hoon Min, Sun Mi Jin, Kamal D Puri, Yong Chul Lee. Phosphoinositide 3-kinase-delta inhibitor reduces vascular permeability in a murine model of asthma. The Journal of allergy and clinical immunology. 2006 Aug; 118(2):403-9. doi: 10.1016/j.jaci.2006.04.041. [PMID: 16890765]
  • Kyung S Lee, Ho K Lee, Joel S Hayflick, Yong C Lee, Kamal D Puri. Inhibition of phosphoinositide 3-kinase delta attenuates allergic airway inflammation and hyperresponsiveness in murine asthma model. FASEB journal : official publication of the Federation of American Societies for Experimental Biology. 2006 Mar; 20(3):455-65. doi: 10.1096/fj.05-5045com. [PMID: 16507763]
  • Zachary A Knight, Kevan M Shokat. Features of selective kinase inhibitors. Chemistry & biology. 2005 Jun; 12(6):621-37. doi: 10.1016/j.chembiol.2005.04.011. [PMID: 15975507]