2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one

Base Information

• Chemical Name: 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
• CAS No.: 371242-69-2
• Molecular Formula: C22H19N7O
• Molecular Weight: 397.43
• UNII: 9HC746B1KF
• DSSTox Substance ID: DTXSID00190617
• Nikkaji Number: J2.333.123C
• Wikidata: Q27162645
• Pharos Ligand ID: BKB9LUN5KGPQ
• ChEMBL ID: CHEMBL1213082
• Mol file: 371242-69-2.mol

Synonyms:IC 87114;IC-87114;IC87114

Chemical Property of 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one

Chemical Property:

• Boiling Point: 673.681 °C at 760 mmHg
• Flash Point: 361.229 °C
• PSA: 104.51000
• Density: 1.436 g/cm³
• LogP: 3.35390
• Solubility.: insoluble in H2O; insoluble in EtOH; ≥6.62 mg/mL in DMF
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 397.16510826
• Heavy Atom Count: 30
• Complexity: 684

Purity/Quality:

99% ^*data from raw suppliers

IC-87114 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N
• 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. The phosphatidylinositol 3-kinase (PI3K) signaling pathway has central roles in cell growth, development, and survival. IC-87114 is a cell-permeable selective inhibitor of the PI3K catalytic subunit p110δ (IC50 = 0.5 μM). It less effectively inhibits p110γ and p110β (IC50 = 29 and 75 μM, respectively) and has no significant effect on p110α and several other kinases. This product is used to elucidate the role of p110δ in cells, including neutrophils, natural killer cells, and other types of leukocytes. It has also been used in mice.
• Uses: IC 87114 is a selective PI3Kδ inhibitor.