| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
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| Targets |
The primary target of Desformylflustrabromine hydrochloride is the α4β2 subtype of the neuronal nicotinic acetylcholine receptor (nAChR). It acts as a positive allosteric modulator, meaning it binds to a site on the receptor distinct from the orthosteric (acetylcholine-binding) site and enhances the receptor's response to acetylcholine. This compound selectively increases the ionic current through α4β2 nAChRs in the presence of ACh. It is a selective agonist with a pEC50 of 6.48. By potentiating the activity of α4β2 nAChRs, it can enhance cholinergic neurotransmission, which is important for cognitive function.
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| ln Vitro |
Desformylflustrabromine Hydrochloride has a pEC50 of 6.48 and is a selective agonist of the α4β2 neuronal nicotinic acetylcholine receptor (nAChR) [1]. Norflutrimide hydrochloride increased and reduced ACh-induced currents in both the high-sensitivity (HS) and low-sensitivity (LS) subtype formulations; however, the LS subtype exhibited more efficacy of norflutrimide hydrochloride than the HS subtype. Potency was greater for isoforms (pEC50=6.4±0.2) compared to 5.6±0.2. Norflutrimide hydrochloride increased the ACh-induced response of wild-type receptors expressed using the HS subtype preparation by 350±20%, which was identical to the receptor expressed using the LS subtype preparation (350±30%), as reported in [2].
In vitro, Desformylflustrabromine hydrochloride has been shown to be a selective positive allosteric modulator of α4β2 nicotinic receptors. It increases the efficacy and potency of acetylcholine. The compound enhances acetylcholine-induced currents by up to 350%. Its activity is typically assessed using electrophysiological techniques, such as two-electrode voltage clamp or patch-clamp, on cells expressing α4β2 nAChRs. The compound's ability to potentiate ACh-induced currents is measured and quantified. |
| ln Vivo |
In vivo, the positive allosteric modulation of α4β2 nAChRs by Desformylflustrabromine hydrochloride suggests it may have therapeutic potential for cognitive enhancement and the treatment of neurological disorders. However, specific in vivo efficacy data are limited in the public literature. The compound is primarily used as a research tool to study the role of α4β2 nAChRs in various physiological and pathological processes. Further studies, including animal models of cognitive dysfunction or addiction, are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
For in vitro receptor binding studies, the affinity and selectivity of Desformylflustrabromine hydrochloride for α4β2 nAChRs can be assessed using radioligand binding assays. Membranes from cells expressing the receptor are incubated with a radiolabeled ligand (e.g., [³H]epibatidine) and varying concentrations of the compound. Competition curves are generated to determine the Ki. For functional studies, the compound's PAM activity is assessed using electrophysiology. Cells expressing α4β2 nAChRs are patch-clamped, and ACh-induced currents are measured in the presence and absence of the compound.
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| Cell Assay |
For in vitro cell-based assays, the activity of Desformylflustrabromine hydrochloride is evaluated using cell lines that heterologously express α4β2 nAChRs, such as HEK293 or CHO cells. Cells are treated with the compound, and receptor function is assessed using calcium imaging or electrophysiology. The compound's effects on cell viability and cytotoxicity can be assessed using standard assays.
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| Animal Protocol |
For in vivo animal studies, Desformylflustrabromine hydrochloride is typically administered intraperitoneally or orally in rodent models. To evaluate its effects on cognition, animal models of learning and memory, such as the Morris water maze or novel object recognition test, can be used. To study its effects on addiction, models of nicotine self-administration or conditioned place preference can be used. The compound's effects on neurotransmitter levels and receptor occupancy in the brain can also be studied.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Desformylflustrabromine hydrochloride: The compound is not soluble in water without warming, but its solubility in water is approximately 10 mM with gentle warming. Detailed pharmacokinetic parameters, such as half-life, bioavailability, and tissue distribution, are not extensively available in the public literature. As a small molecule, it is expected to have reasonable bioavailability.
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| Toxicity/Toxicokinetics |
Specific toxicity data for Desformylflustrabromine hydrochloride are limited. The compound is used as a research tool and is not intended for human therapeutic use. Standard laboratory safety precautions should be observed when handling the compound. Comprehensive toxicological studies have not been published.
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| References |
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| Additional Infomation |
Desformylflustrabromine hydrochloride is a research compound with no clinical trial or regulatory approval status. It is a potent and selective positive allosteric modulator of α4β2 nicotinic acetylcholine receptors. It is commercially available from chemical suppliers for research purposes only. The compound is used as a pharmacological tool to study the role of α4β2 nAChRs in cognition, addiction, and neurological disorders.
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| Molecular Formula |
C16H22BRCLN2
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|---|---|
| Molecular Weight |
357.716282367706
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| Exact Mass |
356.065
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| CAS # |
951322-11-5
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| PubChem CID |
56675778
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| Appearance |
White to off-white solid powder
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| LogP |
5.348
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
20
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| Complexity |
316
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
GEZWEAPBLKXKGN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H21BrN2.ClH/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15;/h5-7,10,18-19H,1,8-9H2,2-4H3;1H
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| Chemical Name |
2-[6-bromo-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-N-methylethanamine;hydrochloride
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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, 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 : ≥ 105 mg/mL (~293.53 mM)
H2O : ~5 mg/mL (~13.98 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.99 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 (6.99 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 (6.99 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 | 2.7955 mL | 13.9774 mL | 27.9548 mL | |
| 5 mM | 0.5591 mL | 2.7955 mL | 5.5910 mL | |
| 10 mM | 0.2795 mL | 1.3977 mL | 2.7955 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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