| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
BFCAs-1 targets metal ions for chelation, facilitating their use in diagnostic imaging and therapeutic applications. As a bifunctional chelating agent, it binds to metal ions such as gadolinium (for MRI), technetium (for SPECT), or gallium (for PET), enabling targeted imaging. The compound is used to study cancer metabolism and metastasis. Its mechanism involves stable complexation of metal ions, allowing for their delivery to specific biological targets.
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| ln Vitro |
In vitro, BFCAs-1 functions as a bifunctional chelating agent for metal ion conjugation. It is used in the preparation of metal-labeled probes for diagnostic imaging and biochemical assays. The compound's chelating properties have been characterized in various in vitro systems. It is soluble in DMSO at 25 mg/mL. BFCAs-1 is used in research areas including cancer, cancer metabolism, and metastasis. Its applications extend to chemistry, biology, and medicine.
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| ln Vivo |
In vivo, BFCAs-1 is used for diagnostic imaging applications including MRI, SPECT, and PET. The compound's ability to chelate metal ions enables targeted imaging of biological processes. It has been studied in preclinical models for cancer imaging and metastasis detection. BFCAs-1 is a bifunctional chelating agent with potential for theranostic applications. Further in vivo studies are ongoing to fully characterize its utility in various imaging modalities.
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| Enzyme Assay |
In vitro chelation assays for BFCAs-1 involve measuring its ability to bind metal ions. Metal ion binding affinity is assessed using spectrophotometric, fluorometric, or potentiometric titration methods. The compound is incubated with metal ions such as Gd3+, Tc99m, or Ga68 at varying concentrations, and complex formation is monitored. Stability constants (log K) are calculated from binding curves. For radiochemistry applications, radiolabeling efficiency is assessed by radio-TLC or radio-HPLC. Assays are performed in appropriate buffer systems with positive controls such as known chelators (e.g., DOTA or DTPA).
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| Cell Assay |
In vitro cell-based assays for BFCAs-1 are conducted in cancer cell lines for imaging and targeting studies. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with BFCAs-1-metal ion conjugates at varying concentrations. Cell uptake and retention of metal-labeled probes are assessed by measuring radioactivity or metal content. Cell viability is assessed by standard assays. For targeting studies, cells expressing specific receptors are used to evaluate probe binding and internalization. Experiments are performed in triplicate with appropriate positive and negative controls.
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| Animal Protocol |
In vivo animal studies for BFCAs-1 are conducted in mouse models of cancer for imaging applications. Tumor-bearing mice are administered BFCAs-1-metal ion conjugates via intravenous injection. Imaging is performed using MRI, SPECT, or PET at various time points post-injection. Biodistribution is assessed by measuring radioactivity or metal content in tissues. Tumor uptake and retention are quantified. For therapeutic studies, animals are treated with BFCAs-1 conjugates and tumor growth is monitored. Dosing regimens are optimized based on pharmacokinetic data. Animals are monitored for clinical signs. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
BFCAs-1 (MW 628.84 g/mol, C32H60N4O8) is a bifunctional chelating agent. It is supplied as a white to off-white solid with ≥98% purity. The compound is soluble in DMSO at 25 mg/mL. It is stable as a powder at -20°C for up to 3 years and at 4°C for 2 years; in solvent, it is stable at -80°C for 6 months and at -20°C for 1 month. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies.
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| Toxicity/Toxicokinetics |
BFCAs-1 is generally well-tolerated in preclinical studies at doses used for imaging applications. The compound is a bifunctional chelating agent with established safety profiles for research use. 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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| Additional Infomation |
BFCAs-1 is a polyamine polycarboxylic bifunctional chelating agent with applications in biology, chemistry, medicine, and diagnostic imaging including MRI, SPECT, and PET. It is used in cancer research, cancer metabolism, and metastasis studies. BFCAs-1 chelates metal ions for targeted imaging and therapeutic applications. Its molecular formula is C32H60N4O8 with a molecular weight of 628.84 g/mol. All applications are limited to non-human research use.
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| Molecular Formula |
C32H60N4O8
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|---|---|
| Molecular Weight |
628.840809822083
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| Exact Mass |
628.441
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| CAS # |
585531-74-4
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| PubChem CID |
11319606
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
628.9±55.0 °C at 760 mmHg
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| Flash Point |
334.2±31.5 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.472
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| LogP |
5.45
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
44
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| Complexity |
776
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(OC(C)(C)C)CN1CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC1
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| InChi Key |
DWYNJWTYDHZUQY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C32H60N4O8/c1-29(2,3)41-25(37)21-33-13-15-34(22-26(38)42-30(4,5)6)17-19-36(24-28(40)44-32(10,11)12)20-18-35(16-14-33)23-27(39)43-31(7,8)9/h13-24H2,1-12H3
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| Chemical Name |
tert-butyl 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
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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 |
| 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 : ~25 mg/mL (~39.76 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.98 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (3.98 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (3.98 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5902 mL | 7.9511 mL | 15.9023 mL | |
| 5 mM | 0.3180 mL | 1.5902 mL | 3.1805 mL | |
| 10 mM | 0.1590 mL | 0.7951 mL | 1.5902 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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