5-Fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4(3H)-quinazolinone 5-氟-3-苯基-2-[(1S)-1-(9H-嘌呤-6-基氨基)丙基]-4(3H)-喹唑啉酮
CAS 870281-82-6 MFCD70281826
化学结构图
SMILES: CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
化学属性
| Mol. Weight | 415 |
|---|---|
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
| Mol. Formula | C22H18FN7O |
别名和识别编码
| Chemical Name | 5-Fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4(3H)-quinazolinone |
|---|---|
| InChIKey | IFSDAJWBUCMOAH-HNNXBMFYSA-N |
| Chemical Name Translation | 5-氟-3-苯基-2-[(1S)-1-(9H-嘌呤-6-基氨基)丙基]-4(3H)-喹唑啉酮 |
| Synonym | CAL101; CAL 101; CAL-101; GS1101; GS 1101; GS-1101, Idelalisib. Idelalisib, GS-1101 |
| Formula | C22H18FN7O |
| IUPAC Name | (S)-2-(1-((9H-purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one |
| InChI | InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 |
| Canonical SMILES | O=C1N(C2=CC=CC=C2)C([C@@H](NC3=C4N=CNC4=NC=N3)CC)=NC5=C1C(F)=CC=C5 |
| MDL Number | N/A |
| CAS Number | 870281-82-6 |
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产品应用
- Idelalisib, also known as CAL-101, is a PI3K-delta inhibitor with potential immunomodulating and antineoplastic activities. CAL-101 inhibits the production of the second messenger phosphatidylinositol-3,4,5-trisphosphate (PIP3), preventing the activation of the PI3K signaling pathway and thus inhibiting tumor cell proliferation, motility, and survival. Unlike other isoforms of PI3K, PI3K-delta is expressed primarily in hematopoietic lineages. The targeted inhibition of PI3K-delta is designed to preserve PI3K signaling in normal, non-neoplastic cells. CAL-101 has [EC(50)] = 8nM.
安全信息
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