计算溶液所需的质量、体积或浓度。
为什么选择此级别
提供 ≥99% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
2-8°C储存,干燥。低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 0 篇同行评审文献引用。
概述
Bay 65-1942 hydrochloride is an ATP-competitive and selective IKKβ inhibitor.
In Vitro
Delivery of Bay 65-1942 prior to ischemia significantly decreases left ventricular infarct size compared with animals receiving vehicle. Compared with sham animals, animals receiving vehicle have a significant increase in the infarct-to-area at risk (AAR) ratio (70.7±3.4 vs. 5.8±3.4%, P<0.05). This ratio is significantly reduced by treatment with Bay 65-1942 at each time point (prior to ischemia 42.7±4.1%, at reperfusion 42.7±7.5%, 2 h of reperfusion 29.4±5.2%; each group P<0.05 vs. vehicle). Animals pretreated with Bay 65-1942 (n=3) have significantly attenuated CK-MB levels compared with those animals without treatment prior to IR (14,170 ±3,219 units, P<0.05 vs. vehicle). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Inhibitors of MEK (AZD6244) and IKK (BAY 65-1942) are used at their IC 50 concentrations, as determined by a 48 hour MTS assay, which achieve sufficient inhibition of kinase activity. MYL-R cells are treated for 24 hours with AZD6244 (5 µM), BAY 65-1942 (10 µM), or a combination of these inhibitors at the same concentrations. AZD6244 and BAY 65-1942 demonstrate synergistic inhibition of cell viability at the dose combination (5 µM AZD6244+10 µM BAY 65-1942), which correlates with IC 75 (CI = 0.48±0.01). Synergism is also indicated at the IC 50 (CI = 0.56±0.09) and IC 90 (CI = 0.46±0.02) dose combinations reported by the software (CI values are the mean of three independent experiments, ± standard deviation). AZD6244 and BAY 65-1942 treatment induces 2- and 1.3-fold caspase 3/7 activation, respectively, compared to the DMSO-treated cells. Treatment with a combination of AZD6244 plus BAY 65-1942 leads to a 3.2-fold increase in caspase 3/7 activity. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Cell Assay
Cell viability is determined by seeding MYL-R cells on a 96-well plate at 4×10 4 cells/well in 100 µL RPMI growth medium supplemented with kinase inhibitors. Growth media and kinase inhibitors are replenished at 24 hours, and at 48 hours. 20 µL of MTS assay reagent is added to each well. The plate is returned to the incubator for approximately 1 hour and the absorbance at 490 nm is recorded. For combination index (CI) experiments, cells are grown and assayed. To determine AZD6244 and BAY 65-1942 (10 µM) dose-effects, cells are treated with a series of three-fold dilutions of each drug singly, or in combination while maintaining a constant ratio of 1:2, respectively. Cell viability results are analyzed to derive CI values. The CI values from three independent experiments are averaged. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IKKβ
规格
别名
65-1942 盐酸盐
英文别名
UNII-2LM458LV8E | Bay 65-1942 (HCl salt),CAS:600734-06-3 | KINK-1 hydrochloride | (-)-7-[2-(cyclopropylmethoxy)-6-hydroxy-phenyl]-5-[(3S)-3-piperidinyl]-1,4-dihydro-2H-pyrido[2,3-d][1,3]oxazin-2-one hydrochloride | 2H-Pyrido[2,3-d][1,3]oxazin-2-one, 7-[2-
规格或纯度
≥99%
英文名称
Bay 65-1942 hydrochloride
生化机理
Bay 65-1942 盐酸盐是一种 ATP 竞争性和选择性 IKKβ 抑制剂。
储存条件
2-8°C储存,干燥
运输条件
低温运输
作用类型
抑制剂
纯度
≥99%
名称和识别符
分子类型
小分子
IUPAC Name
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-[(3S)-piperidin-3-yl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;hydrochloride
INCHI
1S/C22H25N3O4.ClH/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17;/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27);1H/t14-;/m1./s1
InChi Key
XZTOAEZYOFWVHB-PFEQFJNWSA-N
Smiles
C1CC(CNC1)C2=CC(=NC3=C2COC(=O)N3)C4=C(C=CC=C4OCC5CC5)O.Cl
Isomeric SMILES
C1C[C@H](CNC1)C2=CC(=NC3=C2COC(=O)N3)C4=C(C=CC=C4OCC5CC5)O.Cl
关联CAS
PubChem CID
MeSH Entry Terms
7-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-5-((3S)-3-piperidinyl)-1,4-dihydro-2H-pyrido(2,3-d)(1,3)oxazin-2-one hydrochloride
分子量
431.91
技术文档
高级数据
三维结构
交互式化学结构模型
化学和物理性质
溶解性
DMSO : 50 mg/mL (115.76 mM; Need ultrasonic) H2O : 2.17 mg/mL (5.02 mM; Need ultrasonic)
分子量
431.900 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
4
氢键受体数Hydrogen Bond Acceptor Count
6
可旋转键计数Rotatable Bond Count
5
精确质量Exact Mass
431.161 Da
单同位素质量Monoisotopic Mass
431.161 Da
拓扑极表面积Topological Polar Surface Area
92.700 Ų
重原子数Heavy Atom Count
30
形式电荷Formal Charge
0
复杂度Complexity
586.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
1
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
2
安全和危险性（GHS）
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
技术文档和文章
溶液计算器
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