4-(Tert-Butyl)-N-(2-Methyl-3-(4-Methyl-6-((4-(Morpholine-4-Carbonyl)Phenyl)Amino)-5-Oxo-4,5-Dihydropyrazin-2-Yl)Phenyl)Benzamide 4-(叔丁基)-N-(2-甲基-3-(4-甲基-6-((4-(吗啉-4-羰基)苯基)氨基)-5-氧代-4,5-二氢吡嗪-2-基)苯基)苯甲酰胺
CAS 910232-84-7 MFCD010232847
化学结构图
SMILES: Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
化学属性
| Mol. Weight | 579.69 |
|---|---|
| Appearance | White to off-white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name Translation | 4-(叔丁基)-N-(2-甲基-3-(4-甲基-6-((4-(吗啉-4-羰基)苯基)氨基)-5-氧代-4,5-二氢吡嗪-2-基)苯基)苯甲酰胺 |
|---|---|
| Chemical Name | 4-(Tert-Butyl)-N-(2-Methyl-3-(4-Methyl-6-((4-(Morpholine-4-Carbonyl)Phenyl)Amino)-5-Oxo-4,5-Dihydropyrazin-2-Yl)Phenyl)Benzamide |
| Formula | C34H37N5O4 |
| Synonym | CGI1746; CGI-1746; CGI 1746. |
| IUPAC Name | 4-(tert-butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morpholine-4-carbonyl)phenyl)amino)-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)benzamide |
| InChIKey | JIFCFQDXHMUPGP-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40) |
| Canonical SMILES | O=C(NC1=CC=CC(C(N=C2NC3=CC=C(C(N4CCOCC4)=O)C=C3)=CN(C)C2=O)=C1C)C5=CC=C(C(C)(C)C)C=C5 |
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产品应用
- CGI1746 is a small-molecule Btk inhibitor chemotype with a new binding mode that stabilizes an inactive nonphosphorylated enzyme conformation. CGI1746 has exquisite selectivity for Btk and inhibits both auto- and transphosphorylation steps necessary for enzyme activation.
