BAY-985
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- CAS号:
- 2409479-29-2
- 英文名:
- BAY-985
- 英文别名:
- BAY-985;BAY-985,IKK,BAY985,IκB kinase,melanoma,IKKε,TBK1,inhibit,I kappa B kinase,Inhibitor,BAY 985,antitumor;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-;(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
- 中文名:
- BAY-985
- 中文别名:
- 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
- CBNumber:
- CB55839640
- 分子式:
- C27H30F3N9O
- 分子量:
- 553.58
- MOL File:
- 2409479-29-2.mol
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BAY-985化学性质
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沸点:
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753.3±70.0 °C(Predicted)
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密度:
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1.373±0.06 g/cm3(Predicted)
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储存条件:
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Store at -20°C
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溶解度:
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DMSO: 50 mg/mL (90.32 mM)
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形态:
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A solid
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酸度系数(pKa):
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10.06±0.10(Predicted)
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BAY-985性质、用途与生产工艺
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)。
| Target | Value |
TBK1
(in low ATP assay)
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2 nM
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IKKε
(Cell-free assay)
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2 nM
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TBK1
(in high ATP assay)
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30 nM
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pIRF3
(Cell-free assay)
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74 nM
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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
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Cell Line:
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ACHN and SK-MEL-2 cell lines
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Concentration:
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Incubation Time:
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96 hours
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Result:
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Inhibited proliferation in SK-MEL2 and ACHN cells with IC
50
s of 900 and 7260 nM, respectively.
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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).
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Animal Model:
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Female NMRI nude mice bearing SK-MEL-2 human melanoma xenograft model
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Dosage:
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200 mg/kg
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Administration:
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Applied p.o.; twice daily (b.i.d.) continuously 111 days
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Result:
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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%.
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BAY-985
上下游产品信息
上游原料
下游产品
| 更新日期 | 产品编号 | 产品名称 | CAS编号 | 包装 | 价格 |
|---|
| 2024/04/30 | HY-133117 | BAY-985 | | 1 mg | 1714元 |
| 2024/04/30 | HY-133117 | BAY-985
BAY-985 | 2409479-29-2 | 5mg | 4500元 |
2409479-29-2, BAY-985 相关搜索:
- 合成有机化合物配体
- C27H30F3N9O
- (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
- 2409479-29-2
- (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,IKK,BAY985,IκB kinase,melanoma,IKKε,TBK1,inhibit,I kappa B kinase,Inhibitor,BAY 985,antitumor
- 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