(S)-2-(1-((9H-Purin-6-Yl)Amino)Ethyl)-6-Fluoro-3-Phenylquinazolin-4(3H)-One (S)-2-(1-((9H-嘌呤-6-基)氨基)乙基)-6-氟-3-苯基喹唑啉-4(3H)-酮
CAS 870281-34-8 MFCD70281348
化学结构图
SMILES: C[C@H](Nc1ncnc2nc[nH]c12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
化学属性
| Mol. Weight | 401.4 |
|---|---|
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | (S)-2-(1-((9H-Purin-6-Yl)Amino)Ethyl)-6-Fluoro-3-Phenylquinazolin-4(3H)-One |
|---|---|
| Formula | C21H16FN7O |
| Synonym | GS-9820; GS9820; GS 9820; CAL120; CAL 120; CAL-120; Acalisib. |
| IUPAC Name | (S)-2-(1-((7H-purin-6-yl)amino)ethyl)-6-fluoro-3-phenylquinazolin-4(3H)-one. |
| InChIKey | DOCINCLJNAXZQF-LBPRGKRZSA-N |
| InChI | InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1 |
| Canonical SMILES | O=C1N(C2=CC=CC=C2)C([C@@H](NC3=C4NC=NC4=NC=N3)C)=NC5=C1C=C(F)C=C5 |
| Chemical Name Translation | (S)-2-(1-((9H-嘌呤-6-基)氨基)乙基)-6-氟-3-苯基喹唑啉-4(3H)-酮 |
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产品应用
- Acalisib, also known as GS-9820, is an inhibitor of the beta and delta isoforms of the 110 kDa catalytic subunit of class IA phosphoinositide-3 kinases (PI3K) with potential immunomodulating and antineoplastic activities. p110beta/delta PI3K inhibitor GS-9820 inhibits the activity of PI3K, thereby preventing the production of the second messenger phosphatidylinositol-3,4,5-trisphosphate (PIP3), which decreases tumor cell proliferation and induces cell death. PI3K-mediated signaling is often dysregulated in cancer cells; the targeted inhibition of PI3K is designed to preserve PI3K signaling in normal, non-neoplastic cells.
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