| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Vofopitant dihydrochloride targets the neurokinin 1 (NK1) receptor, the primary receptor for substance P. It acts as a potent, selective antagonist, blocking substance P binding and signaling. The compound shows high affinity for both rat and human NK1 receptors with pKi values of 9.5 and 10.6, respectively.
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| ln Vitro |
Vofopitant dihydrochloride demonstrates potent in vitro antagonism of NK1 receptors. It inhibits [3H]SP binding to the NK1 receptor with high affinity, with pKi values of 9.5 in rat membranes and 10.6 in human membranes. The compound shows selectivity for NK1 over other tachykinin receptors.
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| ln Vivo |
In vivo, Vofopitant dihydrochloride is orally bioavailable and acts as a potent NK1 receptor antagonist. It is primarily explored for its potential in managing chemotherapy-induced nausea and vomiting (CINV). By blocking the NK1 receptor, the compound exerts anti-emetic effects. It acts as a potential broad-spectrum anti-emetic agent.
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| Enzyme Assay |
In vitro receptor binding assays for Vofopitant dihydrochloride typically employ membrane preparations from cells expressing rat or human NK1 receptors. Radioligand binding assays using [3H]-substance P or other appropriate radioligands are performed to determine binding affinity (pKi). Competition binding experiments are conducted with varying concentrations of the compound.
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| Cell Assay |
In vitro cellular assays for Vofopitant dihydrochloride involve treating cells expressing NK1 receptors with varying concentrations of the compound (typically 0.001-100 microM range) prior to or concurrently with substance P stimulation. Readouts include measurement of intracellular calcium mobilization (NK1 is Gq-coupled), assessment of downstream signaling, and evaluation of receptor internalization.
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| Animal Protocol |
In vivo animal studies for Vofopitant dihydrochloride typically employ rodent models of emesis or pain. Animals are administered the compound via oral gavage or other routes at various doses. Endpoints include assessment of emetic responses, pain-related behaviors, and pharmacodynamic biomarkers of NK1 receptor antagonism.
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| ADME/Pharmacokinetics |
Vofopitant dihydrochloride is orally bioavailable with favorable pharmacokinetic properties. Following oral administration, the compound achieves appropriate exposure for target engagement. PK parameters including half-life, Cmax, Tmax, and AUC are determined via LC-MS/MS analysis. The dihydrochloride salt form enhances solubility and stability.
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| Toxicity/Toxicokinetics |
Vofopitant dihydrochloride has been explored for its potential in managing chemotherapy-induced nausea and vomiting. As a research compound, standard safety precautions should be observed during handling including appropriate PPE and work in a fume hood. Comprehensive toxicology data would be required for clinical development.
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| References | |
| Additional Infomation |
Vofopitant dihydrochloride (CAS# 168266-51-1) is a potent, selective, orally bioavailable NK1 receptor antagonist (GR 205171A). It is primarily explored for its potential in managing chemotherapy-induced nausea and vomiting. The compound is not approved for routine clinical use and is for research purposes only.
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| Molecular Formula |
C21H23N6OF3.2[HCL]
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|---|---|
| Molecular Weight |
505.364
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| Exact Mass |
504.142
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| CAS # |
168266-51-1
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| Related CAS # |
Vofopitant;168266-90-8
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| PubChem CID |
6918330
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| Appearance |
White to off-white solid powder
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| Boiling Point |
542.5ºC at 760mmHg
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| Flash Point |
281.9ºC
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| Vapour Pressure |
7.83E-12mmHg at 25°C
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| LogP |
5.596
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
33
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| Complexity |
562
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| Defined Atom Stereocenter Count |
2
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| SMILES |
COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4.Cl.Cl
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| InChi Key |
YVNRXILPJNISEM-FFUVTKDNSA-N
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| InChi Code |
InChI=1S/C21H23F3N6O.2ClH/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3;2*1H/t17-,19-;;/m0../s1
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| Chemical Name |
(2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
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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 (e.g. under nitrogen), 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) |
H2O : ~33.33 mg/mL (~65.95 mM)
DMSO : ~33.33 mg/mL (~65.95 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.95 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 (4.95 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 (4.95 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 50 mg/mL (98.94 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9788 mL | 9.8939 mL | 19.7879 mL | |
| 5 mM | 0.3958 mL | 1.9788 mL | 3.9576 mL | |
| 10 mM | 0.1979 mL | 0.9894 mL | 1.9788 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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