| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Leukotriene B4 receptor 1 (BLT1). Bafrekalant is an investigational oral BLT1 antagonist. BLT1 is a receptor for leukotriene B4 (LTB4), a potent pro-inflammatory lipid mediator involved in the recruitment and activation of neutrophils and other immune cells. By blocking BLT1, bafrekalant reduces inflammation and may have therapeutic effects in respiratory and inflammatory conditions.
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| ln Vitro |
Bafrekalant is a BLT1 antagonist. By blocking the leukotriene B4 receptor, it inhibits LTB4-mediated inflammatory signaling. Its in vitro activity includes inhibition of LTB4-induced chemotaxis and activation of immune cells. The compound's specific in vitro activities depend on the concentrations tested and the assay systems used.
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| ln Vivo |
In vivo, bafrekalant is an oral BLT1 antagonist being developed for the treatment of chronic inflammatory and respiratory conditions, including COPD and asthma. It also has potential for the research of breathing disorders, including sleep-related breathing disorders such as obstructive and central sleep apnea and snoring.
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| Enzyme Assay |
Non-cell-based assays for bafrekalant include BLT1 receptor binding assays using radiolabeled LTB4. Receptor binding affinity is determined by competitive displacement of labeled ligand. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization.
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| Cell Assay |
Cell-based assays for bafrekalant use cells expressing BLT1 (e.g., neutrophils, transfected cell lines). LTB4-induced chemotaxis, calcium mobilization, and other functional responses are measured in the presence of the compound. Inhibition of these responses indicates BLT1 antagonism.
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| Animal Protocol |
In vivo studies of bafrekalant are conducted in animal models of inflammation and respiratory disease. The compound is administered orally. Inflammatory markers, lung function, and disease progression are assessed. The compound is being developed for the treatment of COPD, asthma, and sleep-related breathing disorders.
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| ADME/Pharmacokinetics |
Bafrekalant has a molecular formula of C₂₉H₃₁ClN₆O₂ and a molecular weight of 531.05 g/mol. It is an oral investigational compound. The compound should be stored as a powder at -20°C for up to 3 years or in solvent at -80°C for 6 months. It is intended for research use only.
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| Toxicity/Toxicokinetics |
Specific toxicity data for bafrekalant are limited. As an investigational compound, its safety profile is being evaluated in preclinical and clinical studies. Standard laboratory safety practices should be followed when handling this compound.
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| References | |
| Additional Infomation |
Bafrekalant is a diazabicyclo-substituted imidazo[1,2-a]pyrimidine derivative and an investigational oral BLT1 antagonist. It is being developed for the treatment of chronic inflammatory and respiratory conditions, including COPD and asthma, and has potential for the research of sleep-related breathing disorders. It is for research use only.
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| Molecular Formula |
C29H31CLN6O2
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|---|---|
| Molecular Weight |
531.05
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| Exact Mass |
530.219
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| CAS # |
2256770-44-0
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| PubChem CID |
146462757
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| Appearance |
White to off-white solid powder
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| LogP |
5.5
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
38
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| Complexity |
811
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)CN4C[C@H]5CC[C@@H](C4)N5C(=O)C6=C(C=CC(=N6)OC)Cl
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| InChi Key |
VDKJCAWGDJJKNL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H31ClN6O2/c1-18(2)19-5-7-20(8-6-19)26-24(35-14-4-13-31-29(35)33-26)17-34-15-21-9-10-22(16-34)36(21)28(37)27-23(30)11-12-25(32-27)38-3/h4-8,11-14,18,21-22H,9-10,15-17H2,1-3H3
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| Chemical Name |
(3-chloro-6-methoxypyridin-2-yl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
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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: 250 mg/mL (470.77 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.92 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 20.8 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: ≥ 2.08 mg/mL (3.92 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 20.8 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: ≥ 2.08 mg/mL (3.92 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 | 1.8831 mL | 9.4153 mL | 18.8306 mL | |
| 5 mM | 0.3766 mL | 1.8831 mL | 3.7661 mL | |
| 10 mM | 0.1883 mL | 0.9415 mL | 1.8831 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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