Products 59-05-2

CAS 59-05-2 appears in our catalog under these names: Methotrexate, Methotrexate, >95% (HPLC), Methotrexate 1.0 mg/ml in Dimethyl Sulfoxide, Methotrexate (1.0mg/mL in Methanol with 0.1N NaOH), Methotrexate/ 99.46% (existing batch purity). Offered by: Chemat Brand, TRC, Mikromol, LoGiCal, Dr. Ehrenstorfer. Available pack sizes: on request, 100mg, 1g, 50mg, 500mg, 10mg, 1ml, 5x1ml.

Structural formula: {0} (CAS {1})

Methotrexate is a member of pteridines, a monocarboxylic acid amide and a dicarboxylic acid. It has a role as an antimetabolite, an antineoplastic agent, an immunosuppressive agent, an antirheumatic drug, a dermatologic drug, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, an abortifacient and a DNA synthesis inhibitor. It is functionally related to a L-glutamic acid. It is a conjugate acid of a methotrexate(1-).

Source: ChEBI

Identity
Molecular formulaC20H22N8O5
Molecular weight454.4 g/mol
IUPAC name(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
InChIKeyFBOZXECLQNJBKD-ZDUSSCGKSA-N
SMILESCN(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

Computed by PubChem (NCBI)