Pyr-41

Base Information

• Chemical Name: Pyr-41
• CAS No.: 418805-02-4
• Molecular Formula: C17H13N3O7
• Molecular Weight: 371.30100
• European Community (EC) Number: 687-173-1
• NSC Number: 746131
• UNII: HT54RAN9JZ
• DSSTox Substance ID: DTXSID30416554
• Wikipedia: PYR-41
• Wikidata: Q18385814
• ChEMBL ID: CHEMBL2322201
• Mol file: 418805-02-4.mol

Synonyms:4(4-(5-nitro-furan-2-ylmethylene)-3,5-dioxo-pyrazolidin-1-yl)-benzoic acid ethyl ester;4-(4-(5-nitrofuran-2-ylmethylene)-3, 5-dioxopyrazolidin-1-yl)benzoic acid ethyl ester;PYR-41;PYR41 compound

Chemical Property of Pyr-41

Chemical Property:

• Melting Point: 228 - 235°C
• PKA: 7.43±0.20(Predicted)
• PSA: 134.67000
• Density: 1.486±0.06 g/cm3(Predicted)
• LogP: 2.74290
• Storage Temp.: ?20°C
• Sensitive.: Light Sensitive
• Solubility.: Soluble in DMSO at 5mg/ml with warming
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 371.07534976
• Heavy Atom Count: 27
• Complexity: 664

Purity/Quality:

98%,99%, ^*data from raw suppliers

PYR 41 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N2
• Isomeric SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=O)N2
• Description: Pyr41 (418805-02-4) inhibits ubiquitin activating enzyme E1 (>60% inhibition at 10 μM) with little or no activity against E2 or E3. Cell permeable
• Uses: PYR 41 is an irreversible and cell-permeable UBE1 inhibitor.