Skip to the beginning of the images gallery

PYR-41 - 99%, high purity , CAS No.418805-02-4

COA

Grade & Purity:

≥99%

Cas Number: 418805-02-4
Molecular Weight: 371.3
PubChem CID: 5335621
PubChem SID: 488195373

In stock

Item Number

P303688

Grouped product items
SKU	Size	Availability	Price
P303688-5mg	5mg	6	$64.90
P303688-10mg	10mg	6	$97.90
P303688-25mg	25mg	6	$220.90
P303688-50mg	50mg	4	$391.90
P303688-100mg	100mg	3	$608.90
P303688-250mg	250mg	3	$1,370.90

Ubiquitin-activating enzyme (E1) inhibitor

View related series

Amino Acid/Protein Metabolism (1836) Apoptosis (4276) E1/E2/E3 Enzyme (112) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	4-[4-(5-nitro-furan-2-ylmethylene)-3,5-dioxo-pyrazolidin-1-yl]-benzoic acid ethyl ester \| ethyl 4-(4-((5-nitrofuran-2-yl)methylene)-3,5-dioxopyrazolidin-1-yl)benzoate \| Spectrum2_001078 \| ETHYL 4-{4-[(5-NITROFURAN-2-YL)METHYLIDENE]-3,5-DIOXOPYRAZOLIDIN-1-
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Ubiquitin-activating enzyme (E1) inhibitor (IC 50 = 5 µM). Inhibits ubiquitination and proteasomal degradation. Additionally increases sumoylation of proteins and induces p53-mediated apoptosis.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acylaminobenzoic acid and derivatives
Alternative Parents	Benzoic acid esters Benzoyl derivatives Nitroaromatic compounds Nitrofurans Pyrazolidinones Heteroaromatic compounds Carboxylic acid esters Carboxylic acid hydrazides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Acylaminobenzoic acid or derivatives - Benzoate ester - Nitroaromatic compound - Benzoyl - 2-nitrofuran - Pyrazolidinone - Heteroaromatic compound - Furan - Pyrazolidine - Carboxylic acid ester - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CFTR Tclin Cystic fibrosis transmembrane conductance regulator (2075 Activities)

Discover Target: CFTR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488195373
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195373
IUPAC Name	ethyl 4-[(4Z)-4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
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
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
PubChem CID	5335621
Molecular Weight	371.3

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
E2315938	Certificate of Analysis	Mar 08, 2023	P303688
E2315318	Certificate of Analysis	Mar 08, 2023	P303688
E2315358	Certificate of Analysis	Mar 08, 2023	P303688
E2315329	Certificate of Analysis	Mar 08, 2023	P303688
E2315339	Certificate of Analysis	Mar 08, 2023	P303688
E2315357	Certificate of Analysis	Mar 08, 2023	P303688
E2315333	Certificate of Analysis	Mar 08, 2023	P303688
E2315348	Certificate of Analysis	Mar 08, 2023	P303688
E2315350	Certificate of Analysis	Mar 08, 2023	P303688
E2315927	Certificate of Analysis	Mar 08, 2023	P303688
E2315342	Certificate of Analysis	Mar 08, 2023	P303688
E2315341	Certificate of Analysis	Mar 08, 2023	P303688

Show more⌵

Chemical and Physical Properties

Solubility	Soluble in DMSO at 5mg/ml with warming
Sensitivity	Light sensitive
Molecular Weight	371.300 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	371.075 Da
Monoisotopic Mass	371.075 Da
Topological Polar Surface Area	135.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	664.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration