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BAY-985

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BAY-985

查看9 家供应商

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CAS No. 2409479-29-2

分子式 C27H30F3N9O

分子量 553.58

英文名称 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

基本信息

产品名称

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

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

CAS No.

2409479-29-2

分子式

C27H30F3N9O

分子量

553.58

EINECS号

MDL NO.

MOL

2409479-29-2.mol

性质

密度

1.373±0.06 g/cm3(Predicted)

形态

固体

沸点

753.3±70.0 °C(Predicted)

颜色

浅黄至黄色

储存条件

Store at -20°C

酸度系数(pKa)

10.06±0.10(Predicted)

溶解度

二甲基亚砜：50 mg/mL（90.32 mM）

用途

靶点

TargetValue 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

体内研究

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%.

体外研究

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.

生物活性

BAY-985是一种有效、高选择性的TBK1/IKKε抑制剂。 BAY-985对TBK1 (IC50 = 2 nM, low ATP assay; 30 nM, high ATP assay)和IKKε (IC50 = 2 nM)具有高效力，在机械性细胞phosphorylation of interferon regulatory factor 3(pIRF3)分析中也具有高效力(IC50 = 74 nM)，并且对SK-MEL-2细胞具有抗增殖作用(IC50 = 900 nM)。

编辑结构

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