计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
为什么选择此级别
，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
避光,-80℃储存。特低温运输 。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
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
规格
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。
储存条件
避光,-80℃储存
运输条件
特低温运输
名称和识别符
分子类型
小分子
IUPAC 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
分子量
305.19
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机杂环化合物 |
| 类（Class) | 苯并噻唑 |
| 亚类（Subclass） | 暂无 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 苯并噻唑 |
| 其他上位类（Alternative Parents） | 苯胺和取代苯胺 芳基溴化物 噻唑类 杂芳族化合物 氮杂环化合物 伯胺 有机溴化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族杂多环化合物 |
| 取代基（Substituents） | 1,3-苯并噻唑 - 氨基酸 - 苯胺或取代苯胺 - 芳香族杂多环化合物 - 芳基溴化物 - 芳基卤化物 - 氮杂环 - 吡唑 - 苯基化合物 - 杂芳香族化合物 - 烃衍生物 - 单环苯基基团 - 有机硝基化合物 - 有机硒化合物 - 有机卤化物 - 有机氮化合物 - 初级胺 - 噻唑 |
| 描述（Description） | 该化合物属于苯并噻唑类有机化合物。这类化合物含有苯环与噻唑环（由四个碳原子、一个氮原子和一个硫原子构成的五元环）共轭的结构。 |
| 外部描述符（External Descriptors） | 暂无 |
三维结构
交互式化学结构模型
关联靶点（人）
APP
Tclin
淀粉样β蛋白A4(Amyloid-beta A4 protein)
(1 活性数据)
APP
Tclin
Amyloid-beta A4 protein
(8510 活性数据)
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 |
|---|
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
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:
溶液计算器
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
Copyright © 2023至今 上海阿拉丁生化科技股份有限公司 保留所有权利。
危险品化学品经营许可证（带存储）