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IC-87114 - ≥98%, high purity , CAS No.371242-69-2, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta
Basic Description Synonyms Dexmethylphenidate (INN) | BCP01922 | CS-0184 | SB10967 | JTT501 | NCGC00168114-01 | UNII-9HC746B1KF | 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one | 2-(6-Aminopurin-9-ylmethyl)-5-methyl-3-o-tolyl-3H-quinazolin-4-one | BiomolK Specifications & Purity Moligand™, ≥98% Biochemical and Physiological Mechanisms IC-87114 selectively inhibits PI3Kδ, and is not sensitive to PI3Kα, β, or γ. In human neutrophils, IC-87114 (5 μM) potently inhibits N-formyl-methionyl-leucyl-phenylalanine (fMLP)-stimulated phosphatidylinositol triphosphate (PIP3) biosynthesis and chemot Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta Product Description IC-87114 is a selective PI3Kδ inhibitor with IC50 of 0.5 μM in a cell-free assay, 58-fold more selective for PI3Kδ than PI3Kγ, and over 100-fold more selective than PI3Kα/β A PI3K inhibitor with action against fMLP-PIP3
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 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one INCHI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) InChi Key GNWHRHGTIBRNSM-UHFFFAOYSA-N Canonical SMILES CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N Isomeric SMILES CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N PubChem CID 9908783 Molecular Weight 397.43
Certificates(CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO ≥4.8mg/mL Water <1.2mg/mL Ethanol <1.2mg/mL Molecular Weight 397.400 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 3 Exact Mass 397.165 Da Monoisotopic Mass 397.165 Da Topological Polar Surface Area 102.000 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 684.000 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
References 1. Sadhu C, Masinovsky B, Dick K, Sowell CG, Staunton DE. (2003) Essential role of phosphoinositide 3-kinase delta in neutrophil directional movement.. J Immunol, 170 (5): (2647-54). [PMID:12594293 ] [10.1021/op500134e ] 2. Knight ZA, Shokat KM. (2005) Features of selective kinase inhibitors.. Chem Biol, 12 (6): (621-37). [PMID:15975507 ] [10.1021/op500134e ]
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