Acefylline (BioDeep_00000271202)

 

Secondary id: BioDeep_00000175656

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


Acefylline

化学式: C9H10N4O4 (238.0702)
中文名称: 茶碱乙酸
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 94.2%

分子结构信息

SMILES: Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
InChI: InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)

描述信息

C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2].
Acefylline, a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator and cardiac stimulant that inhibits rat lung cAMP phosphodiesterase isoenzymes. Acefylline can be used in asthma research[1][2][3].
Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2].

同义名列表

3 个代谢物同义名

Acefylline; Theophyllineacetic acid; Theophylline-7-acetic acid



数据库引用编号

12 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)

10 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。

亚细胞结构定位 关联基因列表


文献列表

  • Irum Shahzadi, Ameer Fawad Zahoor, Burak Tüzün, Asim Mansha, Muhammad Naveed Anjum, Azhar Rasul, Ali Irfan, Katarzyna Kotwica-Mojzych, Mariusz Mojzych. Repositioning of acefylline as anti-cancer drug: Synthesis, anticancer and computational studies of azomethines derived from acefylline tethered 4-amino-3-mercapto-1,2,4-triazole. PloS one. 2022; 17(12):e0278027. doi: 10.1371/journal.pone.0278027. [PMID: 36520942]
  • Li-Na Fang, Ming-Qing Mao, Xiao-Hua Zhao, Ling Yang, Hui Jia, Shu-Yue Xia. Development and validation of a UPLC-MS/MS method for quantification of doxofylline and its metabolites in human plasma. Journal of pharmaceutical and biomedical analysis. 2019 Sep; 174(?):220-225. doi: 10.1016/j.jpba.2019.05.039. [PMID: 31181483]
  • Yulian Voynikov, Violeta Valcheva, Georgi Momekov, Plamen Peikov, Georgi Stavrakov. Theophylline-7-acetic acid derivatives with amino acids as anti-tuberculosis agents. Bioorganic & medicinal chemistry letters. 2014 Jul; 24(14):3043-5. doi: 10.1016/j.bmcl.2014.05.026. [PMID: 24878196]
  • Soon-Ai Kim, Melissa A Marshall, Neli Melman, Hak Sung Kim, Christa E Müller, Joel Linden, Kenneth A Jacobson. Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions. Journal of medicinal chemistry. 2002 May; 45(11):2131-8. doi: 10.1021/jm0104318. [PMID: 12014951]
  • J G Ufkes, R S Leeuwin, M Ottenhof, A Zeegers, J Zuidema. Efficacy of theophylline and its N-7-substituted derivatives in experimentally induced bronchial asthma in the guinea-pig. Archives internationales de pharmacodynamie et de therapie. 1981 Oct; 253(2):301-14. doi: . [PMID: 7325766]
  • S Sved, I J McGilveray, N Beaudoin. The assay and absorption kinetics of oral theophylline-7-acetic acid in the human. Biopharmaceutics & drug disposition. 1981 Apr; 2(2):177-84. doi: 10.1002/bdd.2510020210. [PMID: 7248481]
  • J Zuidema, H Hilbers. Gas-liquid chromatographic determination of acephylline in urine. Journal of chromatography. 1980 Jun; 182(3-4):445-7. doi: 10.1016/s0378-4347(00)81498-x. [PMID: 7391188]