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PYR-41

CAT: 0013-GTR19162242-09Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162242-09Size:500 mg
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Description
PYR-41 is a selective, cell-permeable inhibitor of ubiquitin-activating enzyme (E1), blocks loading of immobilized His6-tagged E1 with ubiquitin with IC50 of <10 uM; does not affect the transfer of ubiquitin to E2 from E1, directly inhibits E1, but not E2; in addition to blocking ubiquitylation, PYR-41 increases total sumoylation in cells, attenuates cytokine-mediated nuclear factor-kappaB activation and inhibits nonproteasomal (Lys-63) ubiquitylation of TRAF6, also prevents the downstream ubiquitylation and proteasomal degradation of IκBα; inhibits degradation of p53 and activates the p53 transcriptional activity, demonstrates anti-tumor activity in animal studies.
CAS Number
418805-02-4
Product Name Alternative
PYR41 | PYR 41
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 46 mg/mL
Smiles
O=C (OCC) C1=CC=C (N2NC (/C (C2=O) =C/C3=CC=C ([N+] ([O-]) =O) O3) =O) C=C1
Molecular Formula
C17H13N3O7
Molecular Weight
371.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzoic acid, 4-[4-[ (5-nitro-2-furanyl) methylene]-3,5-dioxo-1-pyrazolidinyl]-, ethyl ester

Chemical Information

Pyr-41

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.

CAS Number418805-02-4
PubChem CID5335621
IUPAC Nameethyl 4-[(4Z)-4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
Molecular FormulaC17H13N3O7
Molecular Weight371.3
XLogP2.3
Topological Polar Surface Area135
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity664
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=O)N2
InChI
InChI=1S/C17H13N3O7/c1-2-26-17(23)10-3-5-11(6-4-10)19-16(22)13(15(21)18-19)9-12-7-8-14(27-12)20(24)25/h3-9H,2H2,1H3,(H,18,21)/b13-9-
InChIKey
ARGIPZKQJGFSGQ-LCYFTJDESA-N
Chemical Structure
2D Structure
2D structure of Pyr-41
CAS: 418805-02-4
CID: 5335621
Formula: C17H13N3O7
MW: 371.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.3
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass371.07534976
Monoisotopic Mass371.07534976
Topological Polar Surface Area135 Ų
Heavy Atom Count27
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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