6-Cyclopropyl-8-Fluoro-2-(2-(Hydroxymethyl)-3-(1-Methyl-5-((5-(4-Methylpiperazin-1-Yl)Pyridin-2-Yl)Amino)-6-Oxo-1,6-Dihydropyridin-3-Yl)Phenyl)Isoquinolin-1(2H)-One 6-环丙基-8-氟-2-(2-(羟甲基)-3-(1-甲基-5-((5-(4-甲基哌嗪-1-基)吡啶-2-基)氨基)-6-氧代-1,6-二氢吡啶-3-基)苯基)异喹啉-1(2H)-酮
CAS 1242156-23-5 MFCD342156235
化学结构图
SMILES: CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1
化学属性
| Mol. Formula | C35H35FN6O3 |
|---|---|
| Mol. Weight | 606.69 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | 6-Cyclopropyl-8-Fluoro-2-(2-(Hydroxymethyl)-3-(1-Methyl-5-((5-(4-Methylpiperazin-1-Yl)Pyridin-2-Yl)Amino)-6-Oxo-1,6-Dihydropyridin-3-Yl)Phenyl)Isoquinolin-1(2H)-One |
|---|---|
| Chemical Name Translation | 6-环丙基-8-氟-2-(2-(羟甲基)-3-(1-甲基-5-((5-(4-甲基哌嗪-1-基)吡啶-2-基)氨基)-6-氧代-1,6-二氢吡啶-3-基)苯基)异喹啉-1(2H)-酮 |
| Chemicalbook ID | CB02650908 |
| Formula | C35H35FN6O3 |
| Synonym | RN486; RN-486; RN 486 |
| IUPAC Name | 6-cyclopropyl-8-fluoro-2-(2-hydroxymethyl-3-{1-methyl-5-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-2H-isoquinolin-1-one |
| InChIKey | ZTUJNJAKTLHBEX-UHFFFAOYSA-N |
| InChI | InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38) |
| Canonical SMILES | O=C1N(C2=CC=CC(C(C=C3NC4=NC=C(N5CCN(C)CC5)C=C4)=CN(C)C3=O)=C2CO)C=CC6=C1C(F)=CC(C7CC7)=C6 |
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产品应用
- RN486 is a Bruton's tyrosine kinase (Btk) inhibitor. RN486 not only potently and selectively inhibited the Btk enzyme, but also displayed functional activities in human cell-based assays in multiple cell types, blocking Fcε receptor cross-linking-induced degranulation in mast cells (IC(50) = 2.9 nM), Fcγ receptor engagement-mediated tumor necrosis factor α production in monocytes (IC(50) = 7.0 nM), and B cell antigen receptor-induced expression of an activation marker, CD69, in B cells in whole blood (IC(50) = 21.0 nM).
