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4-(6-Bromo-2-benzothiazolyl)benzenamine

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库存信息

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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
B650079-10mg
10mg 期货 Stock Image
B650079-50mg
50mg 期货 Stock Image

基本描述

别名 4-(6-溴-2-苯并噻唑)苯胺
英文别名 4-(6-Bromobenzo[d]thiazol-2-yl)aniline | [4-(6-bromo-1,3-benzothiazol-2-yl)phenyl]amine | HY-111514 | 4-(6-Bromo-2-benzothiazolyl)benzenamine | AKOS017549675 | DTXSID80438347 | PD102319 | SCHEMBL2461395 | BDBM50129783 | 4-(6-Bromo-benzothiazol-2-yl)-pheny
英文名称 4-(6-Bromo-2-benzothiazolyl)benzenamine
生化机理 4-(6-溴-2-苯并噻唑基)苯胺是一种β-淀粉样蛋白 PET(正电子发射断层扫描)示踪剂,可用于诊断阿尔茨海默氏症和唐氏综合症等神经系统疾病。
储存温度 避光,-80℃储存
运输条件 超低温冰袋运输
产品介绍


4-(6-Bromo-2-benzothiazolyl)benzenamine is a β-amyloid PET (positron emission tomography) tracer that can be used in the diagnosis of neurological diseases, such as Alzheimer's and Down's syndrome.

In Vitro

4-(6-Bromo-2-benzothiazolyl)benzenamine (compound 6l) plus ultraviolet A (UVA) can induce caspase-3 activity, poly(ADP-ribose)polymerase cleavage, M30 positive CytoDeath staining, and subsequent apoptotic cell death. Treatment of A375 cells with 4-(6-Bromo-2-benzothiazolyl)benzenamine plus UVA results in a decrease in mitochondrial membrane potential (ΔΨ mt ), oxidative phosphorylation system (OXPHOS) subunits, and adenosine triphosphate (ATP) but an increase in mitochondrial DNA 4977-bp deletion via reactive oxygen species (ROS) generation. Transmission electron microscopy (TEM) observations also show major ultrastructural alterations of mitochondria. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

4-(6-Bromo-2-benzothiazolyl)benzenamine plus UVA is shown to reduce murine melanoma size in a mouse model. 4-(6-Bromo-2-benzothiazolyl)benzenamine-PDT may serve as a potential ancillary modality for the treatment of melanoma. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Assay

For fluorescence Measurement of Uptake of 4-(6-Bromo-2-benzothiazolyl)benzenamine, cultured A375 cells are seeded on glass coverslips with a density of 2×10 4 cells/well in 24-well plate for 24 h until cell attachment. Then the cells are exposed to 4-(6-Bromo-2-benzothiazolyl)benzenamine at 5 μM for indicated times in the dark. The cells are washed twice with PBS and are then fixed with 4% paraformaldehyde at 4°C for 30 min. The qualitative expression of cell fluorescence is determined using a Leica inverted microscope. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Animal administration

Mice A total of 5×10 6 B16 cells are inoculated into female ICR mice (about 19-21 g, 7 weeks). The subcutaneous inoculation of tumor cells resulted in tumor generation at the injection site. When tumors reached about 4×4 mm 2 in diameter, mice are separated into groups. Each group had four mice in each experiment; 4 mg/kg of 4-(6-Bromo-2-benzothiazolyl)benzenamine is injected into the tumor site, and then tumor is exposed to different doses of UVA on the day after injection. Tumor volume is measured by calipers every 5 days after agent injection, and tumor volume is calculated aladdin has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:β-amyloid

关联靶点(人)

APP Tclin 淀粉样β蛋白A4(Amyloid-beta A4 protein) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
APP Tclin Amyloid-beta A4 protein (8510 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IIUPAC Name 4-(6-bromo-1,3-benzothiazol-2-yl)aniline
INCHI 1S/C13H9BrN2S/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2
InChi Key WZRRXNJALRCBNH-UHFFFAOYSA-N
Smiles C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)Br)N
Isomeric SMILES C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)Br)N
PubChem CID 10335228
分子量 305.19

化学和物理性质

分子量 305.190 g/mol
XLogP3 4.300
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 3
可旋转键计数Rotatable Bond Count 1
精确质量Exact Mass 303.967 Da
单同位素质量Monoisotopic Mass 303.967 Da
拓扑极表面积Topological Polar Surface Area 67.200 Ų
重原子数Heavy Atom Count 17
形式电荷Formal Charge 0
复杂度Complexity 268.000
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 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 1

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