BAY-985
| 中文名称 | BAY-985 |
|---|---|
| 中文同义词 | 化合物BAY-985;(R)-1-(4-(1-(2-((6-(6-(二甲基氨基)嘧啶-4-基)-1H-苯并[D]咪唑-2-基)氨基)吡啶-4-基)乙基)哌嗪-1-基)-3,3,3-三氟丙-1-酮;化合物BAY-985,10 MM DMSO 溶液 |
| 英文名称 | BAY-985 |
| 英文同义词 | BAY-985;1-Propanone, 1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)-4-pyrimidinyl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]-1-piperazinyl]-3,3,3-trifluoro-;BAY-985,IKK,BAY985,IκB kinase,melanoma,IKKε,TBK1,inhibit,I kappa B kinase,Inhibitor,BAY 985,antitumor;(R)-1-(4-(1-(2-((6-(6-(Dimethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-yl)amino)pyridin-4-yl)ethyl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one;BAY-985, 10 mM in DMSO |
| CAS号 | 2409479-29-2 |
| 分子式 | C27H30F3N9O |
| 分子量 | 553.58 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 2409479-29-2.mol |
| 结构式 |  |
BAY-985 性质
| 沸点 | 753.3±70.0 °C(Predicted) |
|---|---|
| 密度 | 1.373±0.06 g/cm3(Predicted) |
| 储存条件 | Store at -20°C |
| 溶解度 | 二甲基亚砜：50 mg/mL（90.32 mM） |
| 酸度系数(pKa) | 10.06±0.10(Predicted) |
| 形态 | 固体 |
| 颜色 | 浅黄至黄色 |
| InChIKey | HZRJHVDNTDBTOZ-QGZVFWFLSA-N |
| SMILES | C(N1CCN([C@@H](C2C=CN=C(NC3NC4=CC(C5C=C(N(C)C)N=CN=5)=CC=C4N=3)C=2)C)CC1)(=O)CC(F)(F)F |
| Target | Value |
|
TBK1
(in low ATP assay) | 2 nM |
|
IKKε
(Cell-free assay) | 2 nM |
|
TBK1
(in high ATP assay) | 30 nM |
|
pIRF3
(Cell-free assay) | 74 nM |
BAY-985 inhibits FLT3, RSK4, DRAK1, and ULK1 with IC
50
s of 123, 276, 311, and 7930 nM, respectively.
BAY-985 inhibits the cellular phosphorylation of interferon regulatory factor 3 (IRF3) with an IC
50
of 74 nM.
BAY-985 is active in cellular mechanistic assay and shows anti-proliferative activity in a few cancer cell lines with IC
50
s of 900 and 7260 nM for SK-MEL2 (NRAS and TP53 mutated) and ACHN (CDKN2A mutated) cells, respectively.
Cell Proliferation Assay
| Cell Line: | ACHN and SK-MEL-2 cell lines |
| Concentration: | |
| Incubation Time: | 96 hours |
| Result: | Inhibited proliferation in SK-MEL2 and ACHN cells with IC 50 s of 900 and 7260 nM, respectively. |
BAY-985 (200 mg/kg; p.o.; b.i.d.; 111 days) results in weak antitumor efficacy.
BAY-985 shows high clearance (CL
b
= 4.0 L/h/kg, ca. 95% hepatic extraction), large volume of distribution at steady state (V
ss
=2.9 L/kg) and a short terminal half-life (t
1/2
=0.79 h).
| Animal Model: | Female NMRI nude mice bearing SK-MEL-2 human melanoma xenograft model |
| Dosage: | 200 mg/kg |
| Administration: | Applied p.o.; twice daily (b.i.d.) continuously 111 days |
| Result: |
Treatment resulted in weak antitumor efficacy with a T/C
tumor weight
ratio of 0.6.
The treatment was well tolerated, with a maximum body weight loss of less than 10%. |
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2026/03/03 | S8935 | BAY-985 BAY-985 | 2409479-29-2 | 5mg | 4668.48元 |
| 2026/03/03 | S8935 | BAY-985 | 2409479-29-2 | 10mM (1mL in DMSO) | 5487.3元 |