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
LYN-1604 dihydrochloride is a potent UNC-51-like kinase 1 ( ULK1 ) activator ( EC 50 =18.94 nM) for the research of triple negative breast cancer (TNBC)
In Vitro
LYN-1604 is a potential ULK1 agonist (enzymatic activity=195.7% at 100 nM and IC 50 =1.66 μM against MDA-MB-231 cells). LYN-1604 binds to wild-type ULK1 with a binding affinity in the nanomole range (K D =291.4 nM). LYN-1604 (0.5, 1.0 and 2.0 μM) induces cell death via the ULK complex in MDA-MB-231 cells. LYN-1604 (0.5-2 μM, 24 hours) induces remarkable up-regulation of Beclin-1 and degradation of p62, as well as transformation of LC3-I to LC3-II in MDA-MB-231 cells. LYN-1604 induces ATG5-dependent autophagy via the ULK complex. LYN-1604 can also increase cleavage of caspase3 and induce apoptosis. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: MDA-MB-231 cells Concentration: 0.5, 1.0 and 2.0 μM Incubation Time: Result: Induced cell death. Autophagy ratio was increased in a dose-dependent manner. Western Blot AnalysisCell Line: MDA-MB-231 cells Concentration: 0, 0.5, 1, and 2 μM Incubation Time: 24 hours Result: Induced remarkable up-regulation of Beclin-1 and degradation of p62, as well as transformation of LC3-I to LC3-II.
In Vivo
LYN-1604 (low dose, 25 mg/kg; median dose, 50 mg/kg; high dose, 100 mg/kg; intragastric administration once a day for 14 days) inhibits the growth of xenograft TNBC by targeting ULK1-modulated cell death . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: 24 female nude mice (BALB/c, 6-8 weeks, 20-22 g) Dosage: Low dose, 25 mg/kg; median dose, 50 mg/kg; high dose, 100 mg/kg Administration: Intragastric administration; once a day for 14 days Result: Significantly inhibited the growth of xenograft MDA-MB-231 cells. The body weights of mice were stable. By the end of the experiment, the liver and spleen weight indexes of mice were slightly increased in parts of the groups, while the kidney weight index was not affected in all dose groups.
Form:Solid
IC50& Target:ULK1 18.94 nM (EC 50 )
规格
别名
LYN-1604 二盐酸盐
规格或纯度
≥99%
英文名称
LYN-1604 dihydrochloride
生化机理
LYN-1604 二盐酸盐是一种强效的 UNC-51 样激酶 1（ULK1）激活剂（EC 50 =18.94 nM），可用于三阴性乳腺癌（TNBC）的研究。
储存条件
2-8°C储存,干燥
运输条件
低温运输
作用类型
激活剂
纯度
≥99%
名称和识别符
分子类型
小分子
IUPAC Name
2-[bis(2-methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]ethanone;dihydrochloride
INCHI
1S/C33H43Cl2N3O2.2ClH/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26;;/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3;2*1H
InChi Key
GZCBLOPFZPJUOQ-UHFFFAOYSA-N
Smiles
CC(C)CN(CC(C)C)CC(=O)N1CCN(CC1)CC(C2=C(C=C(C=C2)Cl)Cl)OCC3=CC4=CC=CC=C4C=C3.Cl.Cl
PubChem CID
分子量
657.54
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 (76.04 mM; Need ultrasonic) H2O : 50 mg/mL (76.04 mM; Need ultrasonic)
分子量
657.500 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count
2
氢键受体数Hydrogen Bond Acceptor Count
4
可旋转键计数Rotatable Bond Count
12
精确质量Exact Mass
657.224 Da
单同位素质量Monoisotopic Mass
655.227 Da
拓扑极表面积Topological Polar Surface Area
36.000 Ų
重原子数Heavy Atom Count
42
形式电荷Formal Charge
0
复杂度Complexity
750.000
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
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
1
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
3
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
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溶液计算器
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