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[³H]methotrexate , Dihydrofolate reductase inhibitor, CAS No.H614173, Dihydrofolate reductase inhibitor
Basic Description
Synonyms | methotrexate|59-05-2|Amethopterin|Rheumatrex|Methylaminopterin|Metatrexan|Hdmtx|Abitrexate|Trexall|Mexate|Ledertrexate|Methylaminopterinum|Methotrexatum|Antifolan|MTX|4-Amino-10-methylfolic acid|(S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)be |
Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Dihydrofolate reductase inhibitor |
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Names and Identifiers
IUPAC Name | (2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid |
INCHI | InChI=1S/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)/t13-/m0/s1 |
InChi Key | FBOZXECLQNJBKD-ZDUSSCGKSA-N |
Canonical SMILES | OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C |
Isomeric SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
PubChem CID | 126941 |
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