| Size | Price | Stock | Qty |
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| Targets |
3-Br-cytisine targets nicotinic acetylcholine receptors (nAChRs), specifically the α4β4, α4β2, and α7 subtypes. It acts as a potent agonist at these receptors. The compound exhibits IC50 values of 0.28 nM for hα4β4, 0.30 nM for hα4β2, and 31.6 nM for hα7-nAChR. This indicates high potency at the α4β4 and α4β2 subtypes and moderate potency at α7.
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| ln Vitro |
In vitro, 3-Br-cytisine acts as a potent agonist at nAChRs. It shows high affinity and potency at α4β4 and α4β2 receptor subtypes, with IC50 values of 0.28 nM and 0.30 nM, respectively. Its potency at the α7 subtype is lower, with an IC50 of 31.6 nM. These properties make it a valuable tool for studying nAChR pharmacology and for differentiating between receptor subtypes.
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| ln Vivo |
No specific in vivo activity data is publicly available for 3-Br-cytisine. As a research compound, its in vivo efficacy and pharmacokinetic properties have not been extensively characterized. Given its potency at nAChRs, it may have potential applications in studying neurological disorders, but further studies are needed.
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| Enzyme Assay |
In cell-free receptor binding assays, 3-Br-cytisine's activity is evaluated by measuring its affinity for nAChR subtypes. Membrane preparations from cells expressing specific nAChR subtypes (e.g., α4β4, α4β2, α7) are incubated with a radiolabeled ligand (e.g., [3H]epibatidine or [125I]α-bungarotoxin) and varying concentrations of the compound. The displacement of the radioligand is measured, and the IC50 or Ki is calculated.
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| Cell Assay |
In vitro cell-based experiments with 3-Br-cytisine typically involve cell lines expressing specific nAChR subtypes, such as HEK293 or CHO cells transfected with the receptor subunits. Cells are treated with the compound, and receptor activation is assessed by measuring ion flux (e.g., calcium influx using fluorescent dyes) or by electrophysiological techniques (e.g., patch-clamp recording). The EC50 for receptor activation is determined from the concentration-response curve.
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| Animal Protocol |
No specific in vivo animal protocols are publicly available for 3-Br-cytisine. If in vivo studies were to be conducted, typical protocols might involve rodent models of neurological disorders, where the compound would be administered, and behavioral or physiological endpoints would be measured.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data is publicly available for 3-Br-cytisine. As a research compound, its absorption, distribution, metabolism, and excretion (ADME) properties have not been extensively characterized. The compound is a small molecule (molecular weight 269.14) that is typically used in in vitro experiments.
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| Toxicity/Toxicokinetics |
No specific toxicity data is publicly available for 3-Br-cytisine. In cell-based assays, it shows activity at nanomolar concentrations, indicating a potential therapeutic window. The compound is for research use only and is not intended for human therapeutic applications. No systemic toxicity studies have been reported.
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| References |
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| Additional Infomation |
3-Br-cytisine is a halogenated derivative of the plant alkaloid cytisine. Its molecular formula is C11H13BrN2O and its molecular weight is 269.14. It is a potent agonist at nAChRs, with IC50 values of 0.28 nM for hα4β4, 0.30 nM for hα4β2, and 31.6 nM for hα7-nAChR. The compound is a valuable research tool for studying nAChR pharmacology and is not approved for clinical use.
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| Molecular Formula |
C11H13BRN2O
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|---|---|
| Molecular Weight |
269.137721776962
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| Exact Mass |
268.021
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| CAS # |
207390-14-5
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| PubChem CID |
15519735
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| Appearance |
White to off-white solid powder
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| Density |
1.61±0.1 g/cm3(Predicted)
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| Boiling Point |
463.3±45.0 °C(Predicted)
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| LogP |
1.646
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
15
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| Complexity |
375
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)Br
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| InChi Key |
DWDCLEHDNICBMI-JGVFFNPUSA-N
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| InChi Code |
InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2/t7-,8+/m0/s1
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| Chemical Name |
(1R,9S)-5-bromo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
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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 : ~100 mg/mL (~371.55 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.29 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 (9.29 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 (9.29 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 | 3.7155 mL | 18.5777 mL | 37.1554 mL | |
| 5 mM | 0.7431 mL | 3.7155 mL | 7.4311 mL | |
| 10 mM | 0.3716 mL | 1.8578 mL | 3.7155 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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