2-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone
CAS 371242-69-2 MFCD71242692
化学结构图
SMILES: Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O
化学属性
| Mol. Formula | C22H19N7O |
|---|---|
| Mol. Weight | 397.43 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | IC-87114 |
|---|---|
| Synonym | IC87114; IC-87114; IC 87114. |
| Chemical Name Translation | |
| Formula | C22H19N7O |
| IUPAC Name | 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one |
| InChIKey | GNWHRHGTIBRNSM-UHFFFAOYSA-N |
| 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) |
| Canonical SMILES | O=C1N(C2=CC=CC=C2C)C(CN3C=NC4=C(N)N=CN=C34)=NC5=C1C(C)=CC=C5 |
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产品应用
- IC-87114 is a potent and ATP-competitive PI3K p110δ isoform-selective inhibitor (IC50 = 60 nM). It Inhibits p110α, p110β and p110γ only at much higher concentrations. It does not inhibit other PIK-related kinases such as ATM, ATR, DNA-PK, and mTOR even at concentrations up to 100 µM.
安全信息
GHS Symbol
