Methylaminopterin

Methotrexate An antineoplastic antimetabolite with immunosuppressant properties. It is an inhibitor of TETRAHYDROFOLATE DEHYDROGENASE and prevents the formation of tetrahydrofolate, necessary for synthesis of thymidylate, an essential component of DNA.

[1. A folic acid antagonist used as an antineoplastic agent; used to treat psoriasis and rheumatoid arthritis.

Molecular Formula: C₂₀H₂₂N₈O₅

InChI: InChI=1/C20H22N8O5/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)/f/h25,29,32H,21-22H2

InChIKey: InChIKey=FBOZXECLQNJBKD-MLCQBUKUCS
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Names:
    Amethopterin
    CL 14377
    EMT 25,299
    Hdmtx
    Metatrexan
    Methopterin
    methotrexate
    Methylaminopterin
    NCI-C04671
    NSC740
    2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid

Registries:
    PubChem CID 4112
    PubChem ID 67627