Methotrexate Impurity 39

cas: 65148-63-2 — see every product listed under this CAS number, including other names

Methotrexate Impurity 39 (CAS 65148-63-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-M202439
cas65148-63-2
sizeon request
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Structural formula: {0} (CAS {1})

(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-ethoxy-5-oxopentanoic acid (CAS 65148-63-2) is a chemical compound with the molecular formula C22H26N8O5 and a molecular weight of 482.5 g/mol. IUPAC name: (4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-ethoxy-5-oxopentanoic acid. InChIKey: MVIRCEDDERYMPC-HNNXBMFYSA-N.

Identity
Molecular formulaC22H26N8O5
Molecular weight482.5 g/mol
IUPAC name(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-ethoxy-5-oxopentanoic acid
InChIKeyMVIRCEDDERYMPC-HNNXBMFYSA-N
SMILESCCOC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Computed by PubChem (NCBI)

Synonyms: Methotrexate Impurity 39, alpha-Monoethyl methotrexate, Methotrexate alpha-monoethyl ester, 1-Ethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate
Isomers (same molecular formula)
dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate C22H26N8O5
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-ethoxy-5-oxopentanoic acid C22H26N8O5
dimethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioate C22H26N8O5
2-amino-N-[8-[3-[formyl(2-hydroxyethyl)amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide C22H26N8O5