Pyrimethamine (BioDeep_00000002347)

 

Secondary id: BioDeep_00000397930

human metabolite blood metabolite Chemicals and Drugs


代谢物信息卡片


5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine

化学式: C12H13ClN4 (248.0829)
中文名称: 乙胺嘧啶
谱图信息: 最多检出来源 Viridiplantae(blood) 13.73%

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

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
Cytoplasm 9 ABCB1, ALB, BCL2, CASP9, DHFR, DHPS, G6PD, STAT3, TYMS
Peripheral membrane protein 1 G6PD
Endoplasmic reticulum membrane 2 BCL2, CD4
Nucleus 5 ALB, BCL2, CASP9, STAT3, TYMS
cytosol 10 ALB, BCL2, CASP9, DHFR, DHPS, G6PD, GPT, KRT83, STAT3, TYMS
centrosome 1 ALB
nucleoplasm 1 STAT3
RNA polymerase II transcription regulator complex 1 STAT3
Cell membrane 6 ABCB1, CD4, CD8A, SCN2A, SLC47A1, SLC47A2
Multi-pass membrane protein 6 ABCB1, MT-CYB, SCN2A, SLC22A2, SLC47A1, SLC47A2
cell surface 1 ABCB1
glutamatergic synapse 1 SCN2A
Golgi apparatus 1 ALB
mitochondrial inner membrane 2 MT-CYB, TYMS
presynaptic membrane 1 SCN2A
Cytoplasm, cytosol 1 G6PD
Presynapse 1 SLC22A2
plasma membrane 9 ABCB1, CD4, CD8A, IFNLR1, SCN2A, SLC22A2, SLC47A1, SLC47A2, STAT3
Membrane 10 ABCB1, BCL2, CYB5D2, G6PD, IFNLR1, MT-CYB, SCN2A, SLC22A2, SLC47A1, SLC47A2
apical plasma membrane 4 ABCB1, SLC22A2, SLC47A1, SLC47A2
axon 1 SCN2A
basolateral plasma membrane 2 SLC22A2, SLC47A1
extracellular exosome 5 ABCB1, ALB, G6PD, GPT, SLC22A2
endoplasmic reticulum 2 ALB, BCL2
extracellular space 2 ALB, KRT83
intercalated disc 1 SCN2A
mitochondrion 5 BCL2, CASP9, DHFR, MT-CYB, TYMS
protein-containing complex 3 ALB, BCL2, CASP9
intracellular membrane-bounded organelle 1 G6PD
Single-pass type I membrane protein 3 CD4, CD8A, IFNLR1
Secreted 2 ALB, CYB5D2
extracellular region 3 ALB, CD8A, CYB5D2
cytoplasmic side of plasma membrane 1 G6PD
Mitochondrion outer membrane 1 BCL2
Single-pass membrane protein 1 BCL2
mitochondrial outer membrane 1 BCL2
[Isoform 2]: Secreted 1 CD8A
Mitochondrion matrix 1 TYMS
mitochondrial matrix 1 TYMS
anchoring junction 1 ALB
transcription regulator complex 1 STAT3
centriolar satellite 1 G6PD
Nucleus membrane 1 BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 1 BCL2
external side of plasma membrane 2 CD4, CD8A
T-tubule 1 SCN2A
Early endosome 1 CD4
Apical cell membrane 4 ABCB1, SLC22A2, SLC47A1, SLC47A2
Mitochondrion inner membrane 2 MT-CYB, TYMS
Membrane raft 1 CD4
pore complex 1 BCL2
receptor complex 1 CD8A
ciliary basal body 1 ALB
chromatin 1 STAT3
centriole 1 ALB
spindle pole 1 ALB
blood microparticle 1 ALB
Basolateral cell membrane 1 SLC22A2
Endomembrane system 1 CYB5D2
myelin sheath 1 BCL2
basal plasma membrane 1 SLC22A2
plasma membrane raft 1 CD8A
endoplasmic reticulum lumen 2 ALB, CD4
platelet alpha granule lumen 1 ALB
node of Ranvier 1 SCN2A
paranode region of axon 1 SCN2A
apoptosome 1 CASP9
clathrin-coated endocytic vesicle membrane 1 CD4
respiratory chain complex III 1 MT-CYB
Basal cell membrane 1 SLC22A2
external side of apical plasma membrane 1 ABCB1
[Isoform 1]: Cell membrane 1 CD8A
keratin filament 1 KRT83
voltage-gated sodium channel complex 1 SCN2A
T cell receptor complex 2 CD4, CD8A
BAD-BCL-2 complex 1 BCL2
ciliary transition fiber 1 ALB
caspase complex 1 CASP9
interleukin-28 receptor complex 1 IFNLR1
[Isoform 6]: Apical cell membrane 1 SLC47A2


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. 2023 Sep; ?(?):110716. doi: 10.1016/j.cbi.2023.110716. [PMID: 37722575]
  • Akram Hematizadeh, Mohammad Ali Ebrahimzadeh, Shahabeddin Sarvi, Mitra Sadeghi, Ahmad Daryani, Shirzad Gholami, Tooran Nayeri, Seyed Abdollah Hosseini. In Vitro and In Vivo Anti-parasitic Activity of Sambucus ebulus and Feijoa sellowiana Extracts Silver Nanoparticles on Toxoplasma gondii Tachyzoites. Acta parasitologica. 2023 Jun; ?(?):. doi: 10.1007/s11686-023-00689-8. [PMID: 37330943]
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  • Hina Shamshad, Ali Sayqal, Jahan Zeb, Agha Zeeshan Mirza. Simultaneous Determination of Chloroquine and Pyrimethamine with Cetirizine in an Active Form and Human Serum by RP-HPLC. Journal of chromatographic science. 2021 Oct; 59(10):923-927. doi: 10.1093/chromsci/bmab018. [PMID: 33621328]
  • Aline Reetz Conceição, Deisi Nara Belucik, Lilian Missio, Luiz Gustavo Brenner, Matheus Henrique Monteiro, Kleber Silva Ribeiro, Deise Fialho Costa, Maria Clara da Silva Valadão, Alessandra Gonçalves Commodaro, João Rafael de Oliveira Dias, Rubens Belfort. Ocular Findings in Infants with Congenital Toxoplasmosis after a Toxoplasmosis Outbreak. Ophthalmology. 2021 09; 128(9):1346-1355. doi: 10.1016/j.ophtha.2021.03.009. [PMID: 33711379]
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  • Alassane Dicko, Michelle E Roh, Halimatou Diawara, Almahamoudou Mahamar, Harouna M Soumare, Kjerstin Lanke, John Bradley, Koualy Sanogo, Daouda T Kone, Kalifa Diarra, Sekouba Keita, Djibrilla Issiaka, Sekou F Traore, Charles McCulloch, Will J R Stone, Jimee Hwang, Olaf Müller, Joelle M Brown, Vinay Srinivasan, Chris Drakeley, Roly Gosling, Ingrid Chen, Teun Bousema. Efficacy and safety of primaquine and methylene blue for prevention of Plasmodium falciparum transmission in Mali: a phase 2, single-blind, randomised controlled trial. The Lancet. Infectious diseases. 2018 06; 18(6):627-639. doi: 10.1016/s1473-3099(18)30044-6. [PMID: 29422384]
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