N2-(2-(Isopropylsulfonyl)Phenyl)-N4-(2-Methoxy-4-(4-(4-Methylpiperazin-1-Yl)Piperidin-1-Yl)Phenyl)-1,3,5-Triazine-2,4-Diamine N2-(2-(异丙基磺酰基)苯基)-N4-(2-甲氧基-4-(4-(4-甲基哌嗪-1-基)哌啶-1-基)苯基)-1,3,5-三嗪-2,4-二胺
CAS 1097917-15-1 MFCD197917151
化学结构图
SMILES: COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1
化学属性
| Mol. Weight | 580.74 |
|---|---|
| Density | 1.276 |
| Mol. Formula | C29H40N8O3S |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Synonym | ASP3026; ASP-3026; ASP 3026. N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine |
|---|---|
| CAS Number | 1097917-15-1 |
| Chemical Name | N2-(2-(Isopropylsulfonyl)Phenyl)-N4-(2-Methoxy-4-(4-(4-Methylpiperazin-1-Yl)Piperidin-1-Yl)Phenyl)-1,3,5-Triazine-2,4-Diamine |
| Chemical Name Translation | N2-(2-(异丙基磺酰基)苯基)-N4-(2-甲氧基-4-(4-(4-甲基哌嗪-1-基)哌啶-1-基)苯基)-1,3,5-三嗪-2,4-二胺 |
| Formula | C29H40N8O3S |
| IUPAC Name | N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine |
| InChIKey | MGGBYMDAPCCKCT-UHFFFAOYSA-N |
| InChI | InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34) |
| Canonical SMILES | O=S(C1=CC=CC=C1NC2=NC=NC(NC3=CC=C(N4CCC(N5CCN(C)CC5)CC4)C=C3OC)=N2)(C(C)C)=O |
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产品应用
- ASP3026 is a novel and selective inhibitor for the ALK kinase. ASP3026 potently inhibited ALK kinase activity and was more selective than crizotinib in a Tyr-kinase panel. In an anchorage independent in vitro cell growth assay, ASP3026 inhibited the growth of NCI-H2228, a human NSCLC tumor cell line endogenously expressing EML4-ALK variant 3 and that of 3T3 cells expressing EML4-ALK variant 1, 2 and 3. The plasma and tumor concentrations of ASP3026 in mice xenografted with NCI-H2228 tumor were determined using high-performance liquid chromatography-tandem mass spectrometry. Significant tumor penetration was observed.
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