Pyrimethamine (BioDeep_00000002347)
Secondary id: BioDeep_00000397930
human metabolite blood metabolite Chemicals and Drugs
代谢物信息卡片
化学式: C12H13ClN4 (248.0828688)
中文名称: 乙胺嘧啶
谱图信息:
最多检出来源 Homo sapiens(blood) 13.54%
分子结构信息
SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
描述信息
Pyrimethamine is only found in individuals that have used or taken this drug. It is one of the folic acid antagonists that is used as an antimalarial or with a sulfonamide to treat toxoplasmosis. [PubChem]Pyrimethamine inhibits the dihydrofolate reductase of plasmodia and thereby blocks the biosynthesis of purines and pyrimidines, which are essential for DNA synthesis and cell multiplication. This leads to failure of nuclear division at the time of schizont formation in erythrocytes and liver.
CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7088
CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7114
CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7128; ORIGINAL_PRECURSOR_SCAN_NO 7126
CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7115
CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7093; ORIGINAL_PRECURSOR_SCAN_NO 7091
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BD - Diaminopyrimidines
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor
D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
同义名列表
28 个代谢物同义名
5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine; 5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine; 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine; 5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine; 2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine; GlaxoSmithKline brand OF pyrimethamine; Glaxo wellcome brand OF pyrimethamine; Wellcome brand OF pyrimethamine; Aventis brand OF pyrimethamine; Diaminopyritamin; Ethylpyrimidine; Pyrimethaminum; Pyremethamine; pyrimethamine; Pirimetamina; Pyrimethamin; Primethamine; Pirimetamin; Chloridine; Chloridin; Tindurine; Chloridyn; Daraprim; Malocide; Cd; Pyrimethamine
数据库引用编号
24 个数据库交叉引用编号
- ChEBI: CHEBI:8673
- KEGG: C07391
- KEGGdrug: D00488
- PubChem: 4993
- HMDB: HMDB0014350
- Metlin: METLIN2204
- DrugBank: DB00205
- ChEMBL: CHEMBL36
- Wikipedia: Pyrimethamine
- MeSH: Pyrimethamine
- chemspider: 4819
- CAS: 58-14-0
- MoNA: LU136302
- MoNA: LU136306
- MoNA: LU136303
- MoNA: LU136304
- MoNA: LU136305
- MoNA: LU136301
- PMhub: MS000002402
- PubChem: 9595
- PDB-CCD: CP6
- NIKKAJI: J4.589F
- RefMet: Pyrimethamine
- KNApSAcK: 8673
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
- Samuel Cota Teixeira, Marina Paschoalino, Guilherme de Souza, Alessandra Monteiro Rosini, Joed Pires de Lima Junior, Luana Carvalho Luz, Aryani Felixa Fajardo Martínez, Rosiane Nascimento Alves, Marcos Paulo Oliveira Almeida, Jaqueline Lopes Damasceno, Marcelo José Barbosa Silva, Francesca Ietta, Bellisa Freitas Barbosa, Eloisa Amália Vieira Ferro, Carlos Henrique Gomes Martins. Rottlerin impairs early and late steps of Toxoplasma gondii infection in human trophoblast cells and villous explants.
Chemico-biological interactions.
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Acta parasitologica.
2023 Jun; ?(?):. doi:
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2023 03; 86(3):557-565. doi:
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Clinical pharmacology in drug development.
2022 01; 11(1):123-128. doi:
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Frontiers in immunology.
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Journal of chromatographic science.
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Ophthalmology.
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Cell reports.
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Clinical pharmacology and therapeutics.
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Analytical chemistry.
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Molecular pharmacology.
2019 11; 96(5):629-640. doi:
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PloS one.
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Biopharmaceutics & drug disposition.
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The Journal of infectious diseases.
2017 11; 216(8):1008-1017. doi:
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Pharmacology research & perspectives.
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Naunyn-Schmiedeberg's archives of pharmacology.
2017 Sep; 390(9):971-976. doi:
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CPT: pharmacometrics & systems pharmacology.
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