中文名称: | BAY-985 | ||||
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英文名称: | BAY-985 | ||||
别名: | (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 (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 |
CAS No: | 2409479-29-2 | ||||
分子式: | C27H30F3N9O | ||||
分子量: | 553.58 |
基本信息
产品编号: |
B11704 |
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产品名称: |
BAY-985 |
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CAS: |
2409479-29-2 |
储存条件 |
粉末 |
-20℃ |
四年 |
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分子式: |
溶于液体 |
-80℃ |
6个月 |
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分子量: |
553.58 |
-20℃ |
1个月 |
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化学名: |
(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 |
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Solubility (25°C): |
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体外:
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DMSO |
100mg/mL (180.64mM) |
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Ethanol |
Insoluble |
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Water |
Insoluble |
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体内(现配现用): |
请根据您的实验动物和给药⽅式选择适当的溶解⽅案。以下溶解⽅案都请先按照In Vitro⽅式配制澄清的储备液,再依次添加助溶剂:为保证实验结果的可靠性,澄清的储备液可以根据储存条件,适当保存;体内实验的⼯作液,建议您现⽤现配,当天 使⽤;以下溶剂前显⽰的百分⽐是指该溶剂在您配制终溶液中的体积占⽐;如在配制过程中出现沉淀、析出现象,可以通过加热和/或超声的⽅式助溶 1.请依序添加每种溶剂:10% DMSO→40% PEG300→5% Tween-80→45% saline Solubility:≥2.08mg/mL(3.76mM);Clear solution 2.请依序添加每种溶剂:10% DMSO→90%(20% SBE-β-CD in saline) Solubility:≥2.08mg/mL(3.76mM);Clear solution 3.请依序添加每种溶剂:10% DMSO→90% corn oil Solubility:≥2.08mg/mL(3.76mM);Clear solution |
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<1mg/ml表示微溶或不溶。 |
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普西唐提供的所有化合物浓度为内部测试所得,实际溶液度可能与公布值有所偏差,属于正常的批间细微差异现象。 |
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请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液;⼀旦配成溶液,请分装保存,避免反复冻融造成的产品失效。 |
制备储备液
浓度
溶液体积 质量 |
1mg |
5mg |
10mg |
1mM |
1.8064mL |
9.0321mL |
18.0642mL |
5mM |
0.3613mL |
1.8064mL |
3.6128mL |
10mM |
0.1806mL |
0.9032mL |
1.8064mL |
生物活性
产品描述 |
一种高效的,有口服活性的、ATP竞争性的,选择性TBK1和IKKε双重抑制剂。 |
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靶点 |
TBK1 2nM (IC50,low ATP) |
TBK1 30nM (IC50,high ATP) |
IKKε 2nM (IC50) |
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体外研究 |
BAY-985 inhibits FLT3,RSK4,DRAK1,and ULK1 with IC50s of 123,276,311,and 7930nM,respectively.BAY-985 inhibits the cellular phosphorylation of interferon regulatory factor 3 (IRF3) with an IC50 of 74nM.BAY-985 is active in cellular mechanistic assay and shows anti-proliferative activity in a few cancer cell lines with IC50s of 900 and 7260nM for SK-MEL2 (NRAS and TP53 mutated) and ACHN (CDKN2A mutated) cells,respectively. Cell Proliferation Assay |
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Cell Line: |
ACHN and SK-MEL-2 cell lines |
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Incubation Time: |
96 hours |
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Result: |
Inhibited proliferation in SK-MEL2 and ACHN cells with IC50s of 900 and 7260nM,respectively. |
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体内研究 |
BAY-985 (200mg/kg;p.o.;b.i.d.;111 days) results in weak antitumor efficacy.BAY-985 shows high clearance (CLb=4.0L/h/kg,ca.95% hepatic extraction),large volume of distribution at steady state (Vss=2.9L/kg) and a short terminal half-life (t1/2=0.79h). |
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Animal Model: |
Female NMRI nude mice bearing SK-MEL-2 human melanoma xenograft model |
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Dosage: |
200mg/kg |
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Administration: |
Applied p.o.;twice daily (b.i.d.) continuously 111 days |
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Result: |
Treatment resulted in weak antitumor efficacy with a T/Ctumor weight ratio of 0.6.The treatment was well tolerated,with a maximum body weight loss of less than 10%. |
本计算器可帮助您计算出特定溶液中溶质的质量、溶液浓度和体积之间的关系,公式为:
质量 (g) = 浓度 (mol/L) x 体积 (L) x 分子量 (g/mol)
摩尔浓度计算公式
用本工具协助配置特定浓度的溶液,使用的计算公式为:
开始浓度 x 开始体积 = 最终浓度 x 最终体积
稀释公式
稀释公式一般简略地表示为:C1V1 = C2V2 ( 输入 输出 )