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| Targets |
(R)-Casopitant targets the neurokinin-1 (NK1) receptor. It is a selective NK1 receptor antagonist. Casopitant is an NK(1)-receptor antagonist. By blocking NK1 receptors, it inhibits the effects of substance P, a neuropeptide involved in emesis, pain, and inflammation. This mechanism underlies its potential to treat nausea and vomiting.
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| ln Vitro |
In vitro, (R)-Casopitant is an isomer of Casopitant, an NK(1)-receptor antagonist. Its activity is typically assessed in receptor binding studies measuring its affinity for the NK1 receptor and functional assays measuring its ability to inhibit substance P-induced signaling. As a selective NK1 receptor antagonist, it would be expected to block substance P binding and downstream effects.
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| ln Vivo |
In vivo, (R)-Casopitant is used for the research of chemotherapy-induced nausea and vomiting. Casopitant can be used for the research of chemotherapy-induced nausea and vomiting. By blocking NK1 receptors, it may prevent the emetic effects of chemotherapy. However, comprehensive in vivo efficacy data from published literature are limited. The compound is primarily used as a research tool.
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| Enzyme Assay |
For non-cell-based receptor binding assays, (R)-Casopitant can be evaluated using membrane preparations from cells expressing human NK1 receptors. Radioligand binding displacement experiments are performed using a suitable radiolabeled ligand such as [3H]-Substance P. Membrane homogenates are incubated with increasing concentrations of the test compound and a fixed concentration of the radioligand. Bound radioligand is separated from free by rapid filtration through glass fiber filters. Non-specific binding is determined in the presence of excess unlabeled Substance P. Ki values are calculated from displacement curves using nonlinear regression analysis.
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| Cell Assay |
For in vitro cellular assays, cells expressing human NK1 receptors are cultured in appropriate media. For functional assays, calcium mobilization is measured using fluorescent calcium indicators. Cells are loaded with the dye and pre-incubated with various concentrations of (R)-Casopitant. Receptor activation is stimulated by the addition of Substance P. Fluorescence intensity is measured using a fluorescence plate reader. The reduction in calcium signal compared to control indicates antagonist activity. IC50 values are calculated from dose-response curves.
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| Animal Protocol |
For in vivo animal studies, (R)-Casopitant can be administered to rodents via oral gavage or intraperitoneal injection. In models of emesis, its ability to prevent vomiting or retching is assessed. In models of chemotherapy-induced nausea, behavioral and physiological parameters are evaluated. Dosing regimens vary depending on the specific model and desired exposure levels.
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| ADME/Pharmacokinetics |
(R)-Casopitant has a molecular weight of 616.61 and a molecular formula of C30H35F7N4O2. It has a purity of ≥98%. It appears as a white to off-white solid powder. The compound should be stored according to the manufacturer's recommendations. It is for research use only and is not intended for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of (R)-Casopitant has not been extensively reported. As an NK1 receptor antagonist, potential adverse effects may include modulation of neurokinin signaling. The compound is for research use only and is not intended for human consumption. Standard safety precautions should be observed when handling the compound.
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| References |
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| Additional Infomation |
(R)-Casopitant ((R)-GW679769, CAS 414910-26-2) is an isomer of Casopitant. Casopitant is an NK(1)-receptor antagonist. (R)-Casopitant is used for the research of chemotherapy-induced nausea and vomiting. It is a selective neurokinin-1 (NK1) receptor antagonist. It is available for research purposes only.
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| Molecular Formula |
C30H35F7N4O2
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|---|---|
| Molecular Weight |
616.613332033157
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| Exact Mass |
616.264
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| Elemental Analysis |
C, 58.44; H, 5.72; F, 21.57; N, 9.09; O, 5.19
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| CAS # |
414910-26-2
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| PubChem CID |
51003178
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| Appearance |
White to off-white solid powder
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| LogP |
5.3
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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 |
4
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| Heavy Atom Count |
43
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| Complexity |
949
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC1=C(C=CC(=C1)F)[C@H]2C[C@@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C(=O)C
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| InChi Key |
XGGTZCKQRWXCHW-DSSGHVNRSA-N
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| InChi Code |
InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25-,27-/m1/s1
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| Chemical Name |
(2R,4R)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
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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 | 1.6218 mL | 8.1089 mL | 16.2177 mL | |
| 5 mM | 0.3244 mL | 1.6218 mL | 3.2435 mL | |
| 10 mM | 0.1622 mL | 0.8109 mL | 1.6218 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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