≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
KAN0438757 KAN0438757 is a potent and selective inhibitor of the metabolic kinase PFKFB3 (6-Phosphofructo-2-Kinase/Fructose-2,6-Biphosphatase 3) with IC50 of 0.19 μM and 3.6 μM for PFKFB3 and PFKFB4, respectively.
Targets
PFKFB3 (Cell-free assay); PFKFB4 (Cell-free assay) 0.19 μM; 3.6 μM
| パブケム・シド | 528765034 |
|---|---|
| カノニカル・スマイル | C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)OCCO)O)C3=C(C=CC(=C3)F)O |
| IUPAC Name | 2-hydroxyethyl 4-[[3-(5-fluoro-2-hydroxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoate |
| InChIKey | QRDFCYMUXHUTCS-UHFFFAOYSA-N |
| INCHI | 1S/C21H18FNO7S/c22-14-4-7-19(25)18(11-14)13-2-1-3-16(10-13)31(28,29)23-15-5-6-17(20(26)12-15)21(27)30-9-8-24/h1-7,10-12,23-26H,8-9H2 |
| 異性体SMILES | C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)OCCO)O)C3=C(C=CC(=C3)F)O |
| 分子量 | 447.43 |
| Reaxy-Rn | 27216017 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27216017&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 分類 | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | o-Hydroxybenzoic acid esters Sulfanilides Salicylic acid and derivatives Benzenesulfonamides Benzenesulfonyl compounds P-fluorophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fluorobenzenes Organosulfonamides Aryl fluorides Vinylogous acids Aminosulfonyl compounds Carboxylic acid esters Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Primary alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Sulfanilide - Benzoate ester - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - 4-halophenol - Benzoyl - 4-fluorophenol - Fluorobenzene - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aryl fluoride - Organosulfonic acid amide - Aryl halide - Vinylogous acid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Primary alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 E2430610 | Certificate of Analysis | Feb 19, 2024 | K412362 |
| E2430631 | Certificate of Analysis | Feb 19, 2024 | K412362 |
| E2430632 | Certificate of Analysis | Feb 19, 2024 | K412362 |
| E2430633 | Certificate of Analysis | Feb 19, 2024 | K412362 |
| E2430634 | Certificate of Analysis | Feb 19, 2024 | K412362 |
| E2430660 | Certificate of Analysis | Feb 19, 2024 | K412362 |
| 溶解度 | Solubility (25°C) In vitro DMSO: 7 mg/mL (15.64 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| 分子量 | 447.400 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 447.079 Da |
| Monoisotopic Mass | 447.079 Da |
| Topological Polar Surface Area | 142.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 700.000 |
| 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 | 1 |
