Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
Furegrelate Sodium (U-63557A) is a selective and potent TXA Synthase (thromboxane A2 synthase) inhibitor in platelets. It has been shown to inhibit platelet aggregation. Furegrelate Sodium (U-63557A) has been found to inhibit TXB2 formation from PGH2 in a concentration dependent manner in human platelet rich plasma (PRP). It has also been found to inhibit arachidonic acid thromboxane B2 formation in human PRP.
Specifications
Synonyms
Furegrelate (sodium) | U-63557A
Specifications & Purity
Moligand™, ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of CYP5A1
Purity
≥98%
Product Properties
| pKa | pKa: 3.07 (Predicted), pKa: 5.23 (Predicted) |
|---|
Names and Identifiers
| Canonical Smiles | C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate |
| InChIKey | XBTIPIZROJAKOJ-UHFFFAOYSA-M |
| INCHI | 1S/C15H11NO3.Na/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11;/h1-5,7-9H,6H2,(H,17,18);/q;+1/p-1 |
| Isomeric SMILES | C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)[O-].[Na+] |
| Alternate CAS | 85666-17-7 |
| MeSH Entry Terms | 5-(3'-pyridinylmethyl)benzofuran-2-carboxylate sodium;furegrelate;U 63557A;U-63557A |
| Molecular Weight | 275.24 |
| Reaxy-Rn | 6032267 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6032267&ln= |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Benzofurans
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Furoic acids Pyridines and derivatives Benzenoids Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - Furoic acid or derivatives - Furoic acid - Pyridine - Benzenoid - Heteroaromatic compound - Furan - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Organic alkali metal salt - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organic salt - Organic sodium salt - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
TBXAS1 Tchem Thromboxane-A synthase (0 Activities)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
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TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)
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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
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CSNK1D Tchem Casein kinase I delta (4546 Activities)
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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
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U2OS (164939 Activities)
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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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BLM Tchem Bloom syndrome protein (4248 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
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BRPF1 Tchem Peregrin (2217 Activities)
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HEK-293T (167025 Activities)
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Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
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Luciferin 4-monooxygenase (66902 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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rep Replicase polyprotein 1ab (378 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PYK Pyruvate kinase (6726 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2425597 | Certificate of Analysis | Apr 22, 2024 | F336029 |
| G2425598 | Certificate of Analysis | Apr 22, 2024 | F336029 |
| G2425599 | Certificate of Analysis | Apr 22, 2024 | F336029 |
| G2425600 | Certificate of Analysis | Apr 22, 2024 | F336029 |
| G2425601 | Certificate of Analysis | Apr 22, 2024 | F336029 |
| G2425622 | Certificate of Analysis | Apr 22, 2024 | F336029 |
| G2425623 | Certificate of Analysis | Apr 22, 2024 | F336029 |
| G2425624 | Certificate of Analysis | Apr 22, 2024 | F336029 |
| G2425625 | Certificate of Analysis | Apr 22, 2024 | F336029 |
| G2425626 | Certificate of Analysis | Apr 22, 2024 | F336029 |
Chemical and Physical Properties
| Solubility | Soluble in water (>16.5 mg/ml) at 25° C, methanol, DMSO, EtOH, DMF, and PBS pH 7.2. |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 275.230 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 275.056 Da |
| Monoisotopic Mass | 275.056 Da |
| Topological Polar Surface Area | 66.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 339.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
Solution Calculators
Reviews
Customer Reviews
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