N-[3-[[5-Fluoro-2-[[4-(2-methoxyethoxy)phenyl]amino]-4-pyrimidinyl]amino]phenyl]-2-propenamide N-[3-[[5-氟-2-[[4-(2-甲氧基乙氧基)苯基]氨基]-4-嘧啶基]氨基]苯基]-2-丙烯酰胺
CAS 1202757-89-8 MFCD302757898
化学结构图
SMILES: C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
化学属性
| Mol. Formula | C22H22FN5O3 |
|---|---|
| Mol. Weight | 423.44 |
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | N-[3-[[5-Fluoro-2-[[4-(2-methoxyethoxy)phenyl]amino]-4-pyrimidinyl]amino]phenyl]-2-propenamide |
|---|---|
| Chemical Name Translation | N-[3-[[5-氟-2-[[4-(2-甲氧基乙氧基)苯基]氨基]-4-嘧啶基]氨基]苯基]-2-丙烯酰胺 |
| Chemicalbook ID | CB02655392 |
| Formula | C22H22FN5O3 |
| Synonym | CC292; CC-292; CC 292; AVL292; AVL-292; AVL 292; Spebrutinib. |
| IUPAC Name | N-(3-((5-fluoro-2-((4-(2-methoxyethoxy)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide |
| InChIKey | KXBDTLQSDKGAEB-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28) |
| Canonical SMILES | C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(OCCOC)C=C3)=NC=C2F)=C1)=O |
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产品应用
- Spebrutinib, also known as AVL-292 or CC-292, is an orally bioavailable, selective inhibitor of BrutonÂ’s agammaglobulinemia tyrosine kinase (BTK), with potential antineoplastic activity. Upon administration, AVL-292 targets and covalently binds to BTK, thereby preventing its activity. By irreversibly inhibiting BTK, administration of this agent may lead to an inhibition of B cell receptor (BCR) signaling and may inhibit cell proliferation of B-cell malignancies.
