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| Targets |
4-(6-Bromo-2-benzothiazolyl)benzenamine targets β-amyloid plaques in the brain for PET imaging. As a β-amyloid PET tracer, it binds to amyloid plaques, enabling visualization of amyloid deposition in the brain. The compound also acts as a photodynamic therapy (PDT) agent, mediating mitochondrial dysfunction in melanoma models. It causes M30-positive CytoDeath staining, caspase-3 activity, PARP cleavage, and consequent cell apoptosis.
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| ln Vitro |
4-(6-Bromo-2-benzothiazolyl)aniline (compound 6l) plus ultraviolet A (UVA) causes the following events: M30-positive CytoDeath staining, caspase-3 activity, poly(ADP-ribose) polymerase cleavage, and consequent cell apoptosis. When 4-(6-bromo-2-benzothiazolyl)aniline plus UVA was applied to A375 cells, the amount of adenosine triphosphate (ATP), oxidative phosphorylation system (OXPHOS) subunits, and mitochondrial membrane potential (ΔΨmt) decreased. However, reactive oxygen species (ROS) were produced, which led to the deletion of 4977 bp of DNA and an increase in mitochondrial membrane potential (ATP). Significant ultrastructural alterations in mitochondria are also revealed by transmission electron microscopy (TEM) findings [2].
In vitro, 4-(6-Bromo-2-benzothiazolyl)benzenamine is a β-amyloid PET tracer used in neurological disease research. It binds to β-amyloid with high affinity. As a PDT agent, it causes M30-positive CytoDeath staining, caspase-3 activity, PARP cleavage, and consequent cell apoptosis in melanoma cells. The compound's binding affinity to β-amyloid has been characterized in various in vitro assays. Its photodynamic therapy effects have been demonstrated in cell-based models. |
| ln Vivo |
In mice, melanoma tumor growth was decreased by 4-(6-bromo-2-benzothiazolyl)aniline with UVA in models. It is possible to treat melanoma as an adjuvant using 4-(6-Bromo-2-benzothiazolyl)aniline-PDT [2].
In vivo, 4-(6-Bromo-2-benzothiazolyl)benzenamine is used as a PET tracer for the diagnosis of neurological diseases such as Alzheimer's disease and Down's syndrome. As a β-amyloid PET tracer, it enables non-invasive imaging of amyloid plaques in the brain. The compound also acts as a photodynamic therapy agent in melanoma models. Further in vivo studies have evaluated its utility as a diagnostic and therapeutic agent. |
| Enzyme Assay |
In vitro receptor binding assays for 4-(6-Bromo-2-benzothiazolyl)benzenamine involve measuring affinity for β-amyloid. Radioligand binding displacement studies are performed using β-amyloid aggregates or synthetic Aβ peptides. The compound's binding affinity (Ki) is determined through competitive binding assays. For photodynamic therapy studies, melanoma cells are treated with the compound and exposed to UVA light. Cell viability, caspase-3 activity, and PARP cleavage are assessed. Assays are performed in appropriate buffer systems with positive controls such as known β-amyloid tracers.
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| Cell Assay |
In vitro cell-based assays for 4-(6-Bromo-2-benzothiazolyl)benzenamine are conducted in melanoma cells and other cell lines. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. For PDT studies, cells are exposed to UVA light. Cell viability is assessed by MTT or CCK-8 assays. Apoptosis is evaluated by M30 CytoDeath staining, caspase-3 activity assays, and PARP cleavage Western blot. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
4-(6-Bromo-2-benzothiazolyl)benzenamine in vivo studies are conducted in animal models of Alzheimer's disease for PET imaging. Animals are injected with the radiolabeled compound and PET imaging is performed. Brain uptake and distribution are quantified. For photodynamic therapy studies, melanoma-bearing mice are treated with the compound and exposed to light. Tumor growth is monitored. Animals are monitored for clinical signs. Tissues are collected for histopathological and biomarker analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
4-(6-Bromo-2-benzothiazolyl)benzenamine (MW 305.19 g/mol, C13H9BrN2S) is a 2-arylbenzothiazole derivative. It is soluble in DMSO and other organic solvents. The compound is stable under recommended storage conditions. It is a β-amyloid PET tracer for neurological disease research. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies.
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| Toxicity/Toxicokinetics |
4-(6-Bromo-2-benzothiazolyl)benzenamine is generally well-tolerated in preclinical studies at doses used for imaging and therapeutic applications. The compound is a β-amyloid PET tracer and PDT agent. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References | |
| Additional Infomation |
4-(6-Bromo-2-benzothiazolyl)benzenamine is a 2-arylbenzothiazole derivative that functions as a β-amyloid PET tracer for neurological disease research and as a photodynamic therapy agent in melanoma models. It can be used in the diagnosis of Alzheimer's disease and Down's syndrome. The compound causes apoptosis in melanoma cells via mitochondrial dysfunction. Its molecular formula is C13H9BrN2S with a molecular weight of 305.19 g/mol. All applications are limited to non-human research use.
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| Molecular Formula |
C13H9BRN2S
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| Molecular Weight |
305.19296
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| Exact Mass |
303.967
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| CAS # |
566169-97-9
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| PubChem CID |
10335228
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
4.889
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
17
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| Complexity |
268
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
WZRRXNJALRCBNH-UHFFFAOYSA-N
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| InChi Code |
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
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| Chemical Name |
4-(6-bromo-1,3-benzothiazol-2-yl)aniline
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2766 mL | 16.3832 mL | 32.7665 mL | |
| 5 mM | 0.6553 mL | 3.2766 mL | 6.5533 mL | |
| 10 mM | 0.3277 mL | 1.6383 mL | 3.2766 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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