5-Chloro-N4-(2-(Isopropylsulfonyl)Phenyl)-N2-(2-Methoxy-4-(4-(4-Methylpiperazin-1-Yl)Piperidin-1-Yl)Phenyl)Pyrimidine-2,4-Diamine 5-氯-N2-[2-甲氧基-4-[4-(4-甲基-1-哌嗪基)-1-哌啶基]苯基]-N4-[2-[(1-甲基乙基)磺酰基]苯基]-2,4-嘧啶二胺
CAS 761439-42-3 MFCD11977634
化学结构图
SMILES: COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
化学属性
| Mol. Formula | C30H40ClN7O3S |
|---|---|
| Mol. Weight | 614 |
| Appearance | Pale yellow solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | 5-Chloro-N4-(2-(Isopropylsulfonyl)Phenyl)-N2-(2-Methoxy-4-(4-(4-Methylpiperazin-1-Yl)Piperidin-1-Yl)Phenyl)Pyrimidine-2,4-Diamine |
|---|---|
| Chemical Name Translation | 5-氯-N2-[2-甲氧基-4-[4-(4-甲基-1-哌嗪基)-1-哌啶基]苯基]-N4-[2-[(1-甲基乙基)磺酰基]苯基]-2,4-嘧啶二胺 |
| LabNetwork Molecule ID | LN01308135 |
| PubChem Substance ID | 16038120 |
| InChI | InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) |
| Formula | C30H40ClN7O3S |
| Synonym | TAE 684, TAE684, TAE-684, NVP-TAE 684, NVP-TAE684, NVP-TAE-684 |
| IUPAC Name | 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine |
| InChIKey | QQWUGDVOUVUTOY-UHFFFAOYSA-N |
| Canonical SMILES | CN1CCN(C2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5S(=O)(C(C)C)=O)=N4)C(OC)=C3)CC2)CC1 |
| MDL Number | |
| CAS Number | 761439-42-3 |
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产品应用
- TAE684, also known as NVP-TAE684, is a highly potent and selective small-molecule ALK inhibitor, which blocked the growth of ALCL-derived and ALK-dependent cell lines with IC(50) values between 2 and 10 nM . TAE684 is also a potent inhibitor of LRRK2 kinase activity (IC(50) of 7.8nM against wild-type LRRK2, 6.1nM against the G2019S mutant).
