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ZK824859 - 99%, high purity , CAS No.2254001-81-3
Serine Protease Inhibitors
Basic Description
Synonyms
Butanoic acid,2-[[6-[[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]oxy]-3,5-difluoro-2-pyridinyl]oxy]-,(2R)-
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
ZK824859 is a potent, selective and orally bioavailable inhibitor of urokinase plasminogen activator (uPA) with IC50 of 79\u202fnM, 1580\u202fnM and 1330\u202fnM for human uPA, tPA, and plasmin, respectively.
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.
Product Description
Information
ZK824859 ZK824859 is a potent, selective and orally bioavailable inhibitor of urokinase plasminogen activator (uPA) with IC50 of 79 nM, 1580 nM and 1330 nM for human uPA, tPA, and plasmin, respectively.
Targets
human uPA (Cell-free assay); human plasmin (Cell-free assay); human tPA (Cell-free assay) 79 nM; 1330 nM; 1580 nM
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Diarylethers Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Polyhalopyridines Toluenes Alkyl aryl ethers Aralkylamines Aryl fluorides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - Diaryl ether - Phenoxy compound - Phenol ether - Phenylmethylamine - Benzylamine - Polyhalopyridine - Alkyl aryl ether - Toluene - Aralkylamine - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
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
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2R)-2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-3,5-difluoropyridin-2-yl]oxybutanoic acid
INCHI
InChI=1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1
InChIKey
CVNXUNVHFJANHX-HXUWFJFHSA-N
Smiles
CCC(C(=O)O)OC1=C(C=C(C(=N1)OC2=CC(=CC(=C2)C3=CC=CC(=C3)CN)C)F)F
Isomeric SMILES
CC[C@H](C(=O)O)OC1=C(C=C(C(=N1)OC2=CC(=CC(=C2)C3=CC=CC(=C3)CN)C)F)F
PubChem CID
69496820
Molecular Weight
414.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility (25°C) In vitro DMSO: 86 mg/mL (207.52 mM); Ethanol: 86 mg/mL (207.52 mM); Water: Insoluble;
Molecular Weight
428.400 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
8
Exact Mass
428.155 Da
Monoisotopic Mass
428.155 Da
Topological Polar Surface Area
94.700 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
584.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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
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