Desmethylazelastine (BioDeep_00000054126)

   

human metabolite Endogenous blood metabolite Chemicals and Drugs


代谢物信息卡片


2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]-1,2-dihydrophthalazin-1-one

化学式: C21H22ClN3O (367.1451)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 91.67%

分子结构信息

SMILES: C1CC(CCNC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H22ClN3O/c22-16-9-7-15(8-10-16)14-20-18-5-1-2-6-19(18)21(26)25(24-20)17-4-3-12-23-13-11-17/h1-2,5-10,17,23H,3-4,11-14H2

描述信息

Desmethylazelastine is a metabolite of Azelastine. Azelastine, an antiallergy and antiasthmatic drug, has been reported to be mainly N-demethylated to desmethylazelastine in humans. Azelastine N-demethylation in humans liver microsomes is catalyzed mainly by CYP3A4 and CYP2D6, and CYP1A2 to a small extent (in average, 76.6, 21.8, and 3.9\\%, respectively. (PMID: 10570018)

同义名列表

5 个代谢物同义名

2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]-1,2-dihydrophthalazin-1-one; 4-(4-Chlorobenzyl)-2-(perhydroazepinyl-(4))-1(2H)-phthala zinone; 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one; Desmethylazelastine hydrobromide; Desmethylazelastine



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。

亚细胞结构定位 关联基因列表


文献列表

  • Wuyi Zha, Linyee Shum. Simultaneous determination of azelastine and its major metabolite desmethylazelastine in human plasma using high performance liquid chromatography-tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2012 Oct; 906(?):69-74. doi: 10.1016/j.jchromb.2012.08.023. [PMID: 22954967]
  • V E Adusumalli, J K Wichmann, K K Wong, N Kucharczyk, R D Sofia. Pharmacokinetics of the new antiasthma and antiallergy drug, azelastine, in pediatric and adult beagle dogs. Biopharmaceutics & drug disposition. 1993 Apr; 14(3):233-44. doi: 10.1002/bdd.2510140306. [PMID: 8098227]
  • C N Langevin, J Pivonka, J K Wichmann, N Kucharczyk, R D Sofia. High performance liquid chromatographic determination of azelastine and desmethylazelastine in guinea pig plasma and lung tissue. Biomedical chromatography : BMC. 1993 Jan; 7(1):7-11. doi: 10.1002/bmc.1130070103. [PMID: 8094306]
  • V E Adusumalli, K K Wong, N Kucharczyk, R D Sofia. Pharmacokinetics of azelastine and its active metabolite, desmethylazelastine, in guinea pigs. Drug metabolism and disposition: the biological fate of chemicals. 1992 Jul; 20(4):530-5. doi: NULL. [PMID: 1356730]
  • J Pivonka, F H Segelman, C A Hartman, W E Segl, N Kucharczyk, R D Sofia. Determination of azelastine and desmethylazelastine in human plasma by high-performance liquid chromatography. Journal of chromatography. 1987 Sep; 420(1):89-98. doi: 10.1016/0378-4347(87)80158-5. [PMID: 2889747]