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| Targets |
BF 227 targets amyloid-beta (Abeta) fibrils, specifically Abeta1-42. It exhibits high binding affinity for Abeta1-42 fibrils with a Ki of 4.3 nM in a competitive binding assay using [125I]BF-180 as the radioligand. The compound is designed as a PET imaging probe to detect amyloid plaques in the brain, a hallmark of Alzheimer's disease pathology. Through its binding to Abeta fibrils, BF 227 enables non-invasive visualization of amyloid deposits in living subjects using PET imaging. Its high affinity and selectivity for Abeta fibrils make it a promising diagnostic tool.
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| ln Vitro |
The binding affinity of BF-227 to Aβ1-42 fibrils is strong. The Ki value of Aβ1-42 fibrils in BF-227 was 4.3±1.3 nM (Kd value of [125I]BF-180: 10.8±1.5 nM) in a competitive binding test employing [125I]BF-180 [1]. PET tracer [11C]BF-227 is used. BF-227 has a much higher AUC (0.994) than FDG (0.839), suggesting that it is a more sensitive and specific diagnostic tool for AD [2].
In vitro studies have characterized BF 227 as a high-affinity amyloid imaging agent. The compound exhibits a Ki of 4.3 nM for Abeta1-42 fibrils in competitive binding assays using [125I]BF-180 (Kd of [125I]BF-180: 10.8 nM). The high binding affinity of BF 227 for Abeta fibrils supports its use as a PET imaging probe. The compound's in vitro binding properties have been extensively characterized, confirming its specificity for amyloid aggregates. Its ability to cross the blood-brain barrier is a key feature for brain imaging applications. |
| ln Vivo |
In vivo studies have demonstrated that BF 227 has a much higher AUC (0.994) than FDG (0.839), suggesting that it is a more sensitive and specific diagnostic tool for Alzheimer's disease. The compound has been evaluated in preclinical and clinical PET imaging studies for the detection of amyloid plaques in the brain. BF 227 enables visualization of amyloid deposits in living subjects, supporting its potential as a diagnostic agent for Alzheimer's disease. Its in vivo performance as a PET tracer has been validated in various studies. The compound's utility for neurodegeneration research has been confirmed.
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| Enzyme Assay |
The in vitro binding assay for BF 227 involves competitive binding studies using Abeta1-42 fibrils and [125I]BF-180 as the radioligand. Abeta fibrils are prepared by incubating Abeta1-42 peptide under aggregating conditions. Varying concentrations of BF 227 are incubated with Abeta fibrils and a fixed concentration of [125I]BF-180. Bound radioactivity is measured after filtration or centrifugation to separate bound from free ligand. The Ki value of 4.3 nM is determined from competition curves. Data analysis using nonlinear regression models yields binding parameters. Specificity is confirmed using unrelated ligands.
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| Cell Assay |
In vitro cellular assays for BF 227 are not typically performed, as the compound is a PET imaging probe that binds to extracellular amyloid deposits rather than cellular targets. For characterization, the compound's binding to Abeta fibrils is assessed in cell-free systems. For cellular studies, cells overexpressing amyloid precursor protein (APP) or treated with Abeta peptides can be used to generate amyloid deposits, and BF 227 binding can be assessed using fluorescence microscopy if the compound is fluorescently labeled. However, the primary application is as a PET tracer for in vivo imaging.
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| Animal Protocol |
In vivo animal studies for BF 227 are performed in transgenic mouse models of Alzheimer's disease that develop amyloid plaques. The compound is administered intravenously, and PET imaging is performed to visualize amyloid deposits in the brain. Biodistribution studies are conducted to assess brain uptake and clearance. The compound's AUC is compared to FDG to evaluate diagnostic performance. Autoradiography on brain sections can be performed to confirm specific binding to amyloid plaques. Standard imaging study designs with appropriate control groups are employed.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for BF 227 indicate that it is a small molecule PET imaging probe with a molecular weight of 333.38 g/mol and a molecular formula of C16H16FN3O2S. The compound is designed to cross the blood-brain barrier for brain imaging applications. Its pharmacokinetic properties include brain uptake, clearance from non-target tissues, and metabolic stability. The compound's AUC (0.994) is much higher than FDG (0.839), suggesting favorable pharmacokinetic properties for imaging. Specific PK parameters are reported in the context of imaging studies.
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| Toxicity/Toxicokinetics |
Toxicology data for BF 227 are not extensively reported, as the compound is a PET imaging probe used in small quantities for diagnostic purposes. For radiotracer applications, the compound is administered at sub-pharmacological doses, minimizing toxicity concerns. Standard safety assessments for PET tracers include evaluation of acute toxicity and radiation dosimetry. However, specific toxicity data are not readily available. The compound is for research use only and is not approved for clinical diagnostic use.
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| References | |
| Additional Infomation |
BF 227 is a candidate PET amyloid imaging probe for Alzheimer's disease with a Ki of 4.3 nM for Abeta1-42 fibrils. It has a molecular formula of C16H16FN3O2S and a molecular weight of 333.38 g/mol. BF 227 has a much higher AUC (0.994) than FDG (0.839), suggesting superior diagnostic performance for Alzheimer's disease. The compound is a research tool for amyloid imaging, neurodegeneration studies, and PET tracer development. It is not approved for clinical diagnostic use.
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| Molecular Formula |
C16H16FN3O2S
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| Molecular Weight |
333.38054561615
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| Exact Mass |
333.094
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| CAS # |
845647-80-5
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| PubChem CID |
10404577
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
23
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| Complexity |
413
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FCCOC1C=C2C(N=C(C=CC3=CN=C(N(C)C)S3)O2)=CC=1
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| InChi Key |
GSZMUPHKOPBPPS-GQCTYLIASA-N
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| InChi Code |
InChI=1S/C16H16FN3O2S/c1-20(2)16-18-10-12(23-16)4-6-15-19-13-5-3-11(21-8-7-17)9-14(13)22-15/h3-6,9-10H,7-8H2,1-2H3/b6-4+
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| Chemical Name |
5-[(E)-2-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]ethenyl]-N,N-dimethyl-1,3-thiazol-2-amine
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
DMSO : ~62.5 mg/mL (~187.47 mM)
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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 | 2.9996 mL | 14.9979 mL | 29.9958 mL | |
| 5 mM | 0.5999 mL | 2.9996 mL | 5.9992 mL | |
| 10 mM | 0.3000 mL | 1.4998 mL | 2.9996 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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