| Size | Price | Stock | Qty |
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| 10mg |
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| Targets |
Valbenazine tosylate targets the vesicular monoamine transporter 2 (VMAT2). VMAT2 is responsible for transporting monoamines (dopamine, serotonin, and norepinephrine) from the cytosol into synaptic vesicles for storage and subsequent release. Valbenazine is a potent, selective, and specific inhibitor of VMAT2 with a Ki value of 150 nM, displaying no significant binding to VMAT1 (Ki < 10 μM). It has minimal off-target interactions at more than 80 other receptor transporters and ion channels.
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| ln Vitro |
Valbenazine demonstrates VMAT2 binding affinity in rat striatum and human platelets with Kis of 110 and 150 nM, respectively[1].
In vitro, valbenazine is a potent, selective, and specific inhibitor of VMAT2 with a Ki of 150 nM, with no inhibition of the related VMAT1 transporter. It exhibits VMAT2 binding affinity in rat striatum and human platelets with Kis of 110 and 150 nM, respectively. The compound has minimal off-target interactions at more than 80 other receptor transporters and ion channels. |
| ln Vivo |
When given orally to rats, valbenazine (10 mg/kg) causes ptosis (mostly an adrenergic reaction) and raises plasma prolactin (mainly a dopaminergic response)[1].
In vivo, valbenazine (10 mg/kg; orally) induces ptosis (primarily an adrenergic response) and increases plasma prolactin (primarily a dopaminergic response) in rats. The compound has a half-life of approximately 20 hours that supports once-daily dosing. Valbenazine is approved by the FDA for the treatment of tardive dyskinesia and has demonstrated efficacy in clinical trials. |
| Enzyme Assay |
The VMAT2 binding assay for valbenazine involves incubating the compound with membrane preparations from cells expressing human VMAT2 or rat striatal membranes and a radiolabeled VMAT2 ligand (such as [³H]-dihydrotetrabenazine). After incubation, bound and free ligands are separated by filtration, and the radioactivity is counted. The Ki for displacement of the radioligand is calculated from the competition curve. Selectivity is assessed by testing against VMAT1 and other transporters.
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| Cell Assay |
To evaluate the cellular activity of valbenazine, cells expressing human VMAT2 are incubated with varying concentrations of the compound and a fluorescent monoamine substrate (such as [³H]-dopamine). The uptake of the substrate into synaptic vesicles is measured by scintillation counting after lysis of the cells and separation of vesicles. The IC50 for inhibition of monoamine uptake is calculated. Alternatively, the compound's effect on monoamine release can be assessed using neurotransmitter release assays.
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| Animal Protocol |
NANA
The in vivo efficacy of valbenazine is evaluated in rodent models of tardive dyskinesia, such as the haloperidol-induced vacuous chewing movements (VCM) model in rats. Animals are treated with haloperidol to induce orofacial dyskinesia, and then administered valbenazine orally at various doses. The number of VCMs is counted over a specified period. The compound's ability to reduce VCMs is expressed as the percentage inhibition relative to vehicle-treated controls. Plasma prolactin levels are measured as a pharmacodynamic marker. |
| ADME/Pharmacokinetics |
Valbenazine is orally bioavailable with a half-life of approximately 20 hours that supports once-daily dosing. Specific pharmacokinetic parameters (e.g., Cmax, Tmax, AUC) are not detailed in the available sources. The compound has a molecular weight of 762.97 and a molecular formula of C38H54N2O10S2. As a powder, it is stable at -20°C for 3 years.
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| Toxicity/Toxicokinetics |
Valbenazine is generally well-tolerated, with common adverse effects including somnolence, fatigue, and akathisia. As a VMAT2 inhibitor, it reduces dopamine storage and release, which underlies its therapeutic effect in tardive dyskinesia. The compound is approved by the FDA for the treatment of tardive dyskinesia. Specific toxicity data from preclinical studies are not detailed in the available sources.
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| References | |
| Additional Infomation |
See also: Valbenazine (with active component).
Valbenazine tosylate is also known as NBI-98854. It is a vesicular monoamine transporter 2 (VMAT2) inhibitor with a Ki value of 150 nM and displays no significant binding to VMAT1 (Ki < 10 μM). It is approved by the FDA for the treatment of tardive dyskinesia. The compound has a molecular formula of C38H54N2O10S2 and a molecular weight of 762.97. |
| Molecular Formula |
C38H54N2O10S2
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| Molecular Weight |
762.972769260406
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| Exact Mass |
762.321
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| CAS # |
1639208-54-0
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| Related CAS # |
Valbenazine;1025504-45-3
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| PubChem CID |
92042922
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| Appearance |
Typically exists as solid at room temperature
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
52
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| Complexity |
776
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| Defined Atom Stereocenter Count |
4
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| SMILES |
S(C1C=CC(C)=CC=1)(=O)(=O)O.S(C1C=CC(C)=CC=1)(=O)(=O)O.O(C([C@H](C(C)C)N)=O)[C@@H]1C[C@@H]2C3C=C(C(=CC=3CCN2C[C@H]1CC(C)C)OC)OC
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| InChi Key |
BXGKAGLZHGYAMW-TZYFFPFWSA-N
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| InChi Code |
InChI=1S/C24H38N2O4.2C7H8O3S/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4;2*1-6-2-4-7(5-3-6)11(8,9)10/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/t17-,19-,20-,23+;;/m1../s1
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| Chemical Name |
[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate;4-methylbenzenesulfonic acid
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| Synonyms |
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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 |
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| 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) |
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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 | 1.3107 mL | 6.5533 mL | 13.1067 mL | |
| 5 mM | 0.2621 mL | 1.3107 mL | 2.6213 mL | |
| 10 mM | 0.1311 mL | 0.6553 mL | 1.3107 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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