Products 357166-29-1

CAS 357166-29-1 appears in our catalog under these names: Pemetrexed disodium heptahydrate, 95%, Pemetrexed Disodium Heptahydrate, >95% (HPLC), Pemetrexed Disodium Heptahydrate, Pemetrexed (sodium salt hydrate), Pemetrexed disodium heptahydrate 98%. Offered by: Combi-blocks, TRC, Mikromol, LoGiCal, GLPBio. Available pack sizes: 5g, 25g, 1g, 10mg, 50mg, 5mg, 250mg, 100mg.

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

Pemetrexed disodium heptahydrate is an organic sodium salt that is the heptahydrate form of pemetrexed disodium. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT). It has a role as an antimetabolite, an antineoplastic agent, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, an EC 2.1.1.45 (thymidylate synthase) inhibitor and an EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor. It is a hydrate and an organic sodium salt. It contains a pemetrexed disodium.

Source: ChEBI

Identity
Molecular formulaC20H33N5Na2O13
Molecular weight597.5 g/mol
IUPAC namedisodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;heptahydrate
InChIKeyQJVSMHJWAOSBMD-MYXYZBIASA-L
SMILESC1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+]

Computed by PubChem (NCBI)