methotrexate disodium (CHEBI:50679)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:50679 - methotrexate disodium

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:50679
ChEBI Name	methotrexate disodium
Stars
Definition	An organic sodium salt that is the disodium salt of methotrexate.
Last Modified	28 June 2012
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C20H20N8O5.2Na
Net Charge	0
Average Mass	498.411
Monoisotopic Mass	498.13520
SMILES	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Na+].[Na+]
InChI	InChI=1S/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);;/q;2*+1/p-2/t13-;;/m0../s1
InChIKey	DASQOOZCTWOQPA-GXKRWWSZSA-L

Roles Classification

Biological Role:	EC 1.5.1.3 (dihydrofolate reductase) inhibitor An EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD⁺ or NADP⁺ as acceptor) inhibitor that interferes with the action of dihydrofolate reductase (EC 1.5.1.3).
Applications:	antirheumatic drug A drug used to treat rheumatoid arthritis. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antipsoriatic A drug used to treat psoriasis.

ChEBI Ontology

Outgoing Relation(s)
	methotrexate disodium (CHEBI:50679) has part methotrexate(2−) (CHEBI:50681)
	methotrexate disodium (CHEBI:50679) has role antineoplastic agent (CHEBI:35610)
	methotrexate disodium (CHEBI:50679) has role antipsoriatic (CHEBI:50748)
	methotrexate disodium (CHEBI:50679) has role antirheumatic drug (CHEBI:35842)
	methotrexate disodium (CHEBI:50679) has role EC 1.5.1.3 (dihydrofolate reductase) inhibitor (CHEBI:50683)
	methotrexate disodium (CHEBI:50679) is a organic sodium salt (CHEBI:38700)

IUPAC Name
disodium (2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate

Synonyms	Source
ADX-2191 SODIUM	ChEMBL
Disodium methotrexate	ChEMBL
Methotrexate (as disodium)	ChEMBL
Methotrexate disodium	ChEMBL
Methotrexate disodium salt	ChEMBL
methotrexate sodium	ChEMBL

Brand Names	Source
Abitrexate	ChEMBL
Emtexate	DrugBank
Folex	ChEMBL
Folex pfs	ChEMBL
Ledertrexate	DrugBank
Methotrexate lpf	ChEMBL

Manual Xrefs	Databases
DB00563	DrugBank

Registry Numbers	Sources
Beilstein:6045736	Beilstein

Citations