Products 418805-02-4

CAS 418805-02-4 appears in our catalog under these names: Ethyl 4-(4-((5-nitrofuran-2-yl)methylene)-3,5-dioxopyrazolidin-1-yl)benzoate, 98%, 98%, PYR-41, >95% (HPLC), PYR-41/ 99.24% (existing batch purity), PYR–41, Ubiquitin E1 Inhibitor, PYR-41 . Offered by: Chemat, TRC, TargetMol, GLPBio, Thermo Scientific (Alfa Aesar). Available pack sizes: 5mg, 10mg, 25mg, 50mg, 100mg, 250mg, 1mg, 2mg.

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

PYR-41 is an ethyl ester resulting from the formal condensation of the carboxy group of 4-{4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoic acid with ethanol. It is an irreversible and cell-permeable inhibitor of ubiquitin-activating enzyme E1. It has a role as an EC 6.2.1.45 (E1 ubiquitin-activating enzyme) inhibitor and an antineoplastic agent. It is an ethyl ester, a member of furans, a C-nitro compound, a benzoate ester and a member of pyrazolidines.

Source: ChEBI

Identity
Molecular formulaC17H13N3O7
Molecular weight371.3 g/mol
IUPAC nameethyl 4-[(4Z)-4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
InChIKeyARGIPZKQJGFSGQ-LCYFTJDESA-N
SMILESCCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=O)N2

Computed by PubChem (NCBI)