80801-54-3
Chemical Structure
MTXPG5
- CAS No.: 80801-54-3
- Formula:C40H50N12O17
- Molecular Weight:970.91
IUPAC Name: (3S,8S,13S,18S,23S)-1-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)phenyl)-1,6,11,16,21-pentaoxo-2,7,12,17,22-pentaazapentacosane-3,8,13,18,23,25-hexacarboxylic acid
InChIKey: SZLWAWGNNSPTLK-KEOOTSPTSA-N
SMILES: NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)C=C3)=N2)N=C(N)N1
Biological Activity: MTXPG5 is a long-chain Methotrexate (HY-14519) metabolite and thymidylate synthase inhibitor with a Ki of 0.047 μM. MTXPG5 inhibits 5-aminoimidazole-4-carboxamide ribonucleotide transformylase, interferes with DNA synthesis and immune cell proliferation, and inhibits pro-inflammatory cytokine production via extracellular adenosine accumulation and elevated cAMP levels. MTXPG5 can be used for the research of leukaemia and rheumatoid arthritis[1][2][3].
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MTXPG5 | MTXPG5 is a long-chain Methotrexate (HY-14519) metabolite and thymidylate synthase inhibitor with a Ki of 0.047 μM. MTXPG5 inhibits 5-aminoimidazole-4-carboxamide ribonucleotide transformylase, interferes with DNA synthesis and immune cell proliferation, and inhibits pro-inflammatory cytokine production via extracellular adenosine accumulation and elevated cAMP levels. MTXPG5 can be used for the research of leukaemia and rheumatoid arthritis. | |||||||||||||||||||||
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- [1]. Buchholz B, et al. Time course of methotrexate polyglutamate formation and degradation in the pre-B-leukaemia cell line Nalm6 and in lymphoblasts from children with leukaemia. Eur J Cancer. 1996 Nov;32A(12):2101-7. [Content Brief]
- [2]. Yang Z, et al. Methotrexate polyglutamates. Expert Rev Clin Pharmacol. 2024 Nov;17(11):1025-1037. [Content Brief]
- [3]. Meesters RJ, et al. Assessment of intracellular methotrexate and methotrexate-polyglutamate metabolite concentrations in erythrocytes by ultrafast matrix-assisted laser desorption/ionization triple quadrupole tandem mass spectrometry. Rapid Commun Mass Spectrom. 2011;25(20):3063-3070. [Content Brief]
Keywords
