Trimetrexate (BioDeep_00000008521)
Secondary id: BioDeep_00000858453
human metabolite blood metabolite
代谢物信息卡片
5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine
化学式: C19H23N5O3 (369.18008080000004)
中文名称: 三甲曲沙
谱图信息:
最多检出来源 Danio rerio(blood) 75%
分子结构信息
SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
描述信息
A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against pneumocystis pneumonia in AIDS patients. Myelosuppression is its dose-limiting toxic effect. [PubChem]
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite
C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor
D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
D009676 - Noxae > D000963 - Antimetabolites
D000970 - Antineoplastic Agents
Same as: D06238
同义名列表
14 个代谢物同义名
5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazoline-2,4-diamine; Trimetrexate monohydrate, monoacetate; Monohydrate, monoacetate trimetrexate; Ipsen brand OF trimetrexate; Trimetrexate ipsen brand; Hydrate, trimetrexate; Trimetrexate hydrate; Trimetrexic acid; trimetrexate; Neutrexin; JB 11; JB-11; TMQ; TMX
数据库引用编号
16 个数据库交叉引用编号
- ChEBI: CHEBI:9737
- KEGG: C11154
- PubChem: 5583
- HMDB: HMDB0015288
- Metlin: METLIN68879
- DrugBank: DB01157
- ChEMBL: CHEMBL119
- Wikipedia: Trimetrexate
- MeSH: Trimetrexate
- chemspider: 5381
- CAS: 251301-18-5
- CAS: 52128-35-5
- PMhub: MS000022146
- PubChem: 13336
- PDB-CCD: TMQ
- NIKKAJI: J22.060D
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
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- 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。
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文献列表
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