| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Netupitant-d6 targets the neurokinin-1 (NK1) receptor. Netupitant is a potent and selective NK1 receptor antagonist. The deuterium labeling does not alter the target specificity, as the isotopic substitution does not affect receptor binding. Its purpose is analytical rather than therapeutic.
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|---|---|
| ln Vitro |
In vitro, Netupitant-d6 is not used for biological activity assays but as an internal standard in analytical chemistry. Its utility lies in its ability to serve as a quantitative tracer for the detection and quantification of netupitant in biological samples using mass spectrometry. The deuterium labeling provides a distinct mass shift, allowing for accurate quantification and correction for matrix effects.
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| ln Vivo |
In vivo, Netupitant-d6 is not administered for therapeutic purposes. Its primary use is as an internal standard in analytical studies to quantify netupitant levels in biological samples. Netupitant itself is an orally active NK1 receptor antagonist. By using the deuterated analog, researchers can accurately measure the concentration of netupitant in pharmacokinetic and metabolic studies.
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| Enzyme Assay |
For non-cell-based assays, Netupitant-d6 is used as an analytical standard. Its identity and purity are confirmed using techniques such as NMR, HPLC, and mass spectrometry. The compound has a purity of 99.62%. It is not used in receptor binding assays. Its role is to serve as a quantitative internal standard for the analysis of netupitant in biological samples.
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| Cell Assay |
For in vitro cellular assays, Netupitant-d6 is not typically used for cell-based functional assays. It may be used in cell culture media as a part of sample preparation for LC-MS/MS analysis to quantify netupitant uptake or metabolism. The compound is added to biological samples at a known concentration to serve as an internal standard, correcting for variability during sample processing and analysis.
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| Animal Protocol |
For in vivo animal studies, Netupitant-d6 is used as an internal standard for the quantification of netupitant in pharmacokinetic and metabolic studies. Blood or tissue samples collected from animals dosed with netupitant are spiked with a known amount of Netupitant-d6. The samples are then processed and analyzed by LC-MS/MS. The ratio of the signal of the analyte to that of the internal standard is used to calculate the concentration of the analyte.
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| ADME/Pharmacokinetics |
Netupitant-d6 has a molecular weight of 584.63 and a molecular formula of C30H26D6F6N4O. It has a purity of 99.62% by HPLC. The compound should be stored at 2-8°C for long-term storage. It is for research use only and is not intended for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of Netupitant-d6 is not applicable, as it is used as an analytical standard at very low concentrations. The deuterium substitution is not expected to introduce new toxicities, as deuterium is a stable, non-radioactive isotope of hydrogen. The compound is not intended for human consumption. Standard safety precautions should be observed when handling the compound.
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| References | |
| Additional Infomation |
Netupitant-d6 (CAS 2070015-31-3) is the deuterium-labeled form of Netupitant, a potent and selective neurokinin-1 (NK1) receptor antagonist. It is achiral and orally active. It is intended for use as an internal standard for the quantification of Netupitant by GC- or LC-mass spectrometry. It is available for research purposes only.
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| Molecular Formula |
C30H26D6F6N4O
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|---|---|
| Molecular Weight |
584.63
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| Exact Mass |
584.285
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| CAS # |
2070015-31-3
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| Related CAS # |
Netupitant;290297-26-6
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| PubChem CID |
92044398
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
597.4±50.0 °C at 760 mmHg
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| Flash Point |
315.1±30.1 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.540
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| LogP |
6.39
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
41
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| Complexity |
865
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C(=O)N(C)C2=CN=C(C=C2C3=CC=CC=C3C)N4CCN(CC4)C)C([2H])([2H])[2H]
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| InChi Key |
WAXQNWCZJDTGBU-XERRXZQWSA-N
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| InChi Code |
InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3/i2D3,3D3
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| Chemical Name |
2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-methyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-(trideuteriomethyl)propanamide
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.7105 mL | 8.5524 mL | 17.1048 mL | |
| 5 mM | 0.3421 mL | 1.7105 mL | 3.4210 mL | |
| 10 mM | 0.1710 mL | 0.8552 mL | 1.7105 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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