| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 1.1 μM (CCK1), 4 μM (CCK2)[2]
CCK antagonist 1 targets cholecystokinin receptors CCK1 and CCK2, which are G protein-coupled receptors that mediate the effects of the peptide hormone cholecystokinin (CCK). CCK1 receptors are predominantly expressed in the gastrointestinal tract and are involved in the regulation of digestion, satiety, and gallbladder contraction. CCK2 receptors are predominantly expressed in the central nervous system and are involved in the regulation of anxiety, pain, and memory. CCK antagonist 1 is a CCK antagonist that inhibits CCK1 with an IC50 of 1.1 μM and CCK2 with an IC50 of 4 μM. By blocking these receptors, the compound modulates CCK signaling pathways that are involved in various physiological and pathological processes. |
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| ln Vitro |
In vitro, CCK antagonist 1 inhibits CCK1 with an IC50 of 1.1 μM and CCK2 with an IC50 of 4 μM. The compound's activity can be measured in receptor binding assays using membranes expressing CCK1 or CCK2 receptors and radiolabeled CCK or a CCK analog. Functional assays can measure the inhibition of CCK-induced signaling, such as calcium mobilization or cAMP production, in cells expressing the receptors. CCK antagonist 1 can be used in research on cancer and mental illness, as CCK signaling is involved in tumor growth, anxiety, and other psychiatric conditions. However, specific cell-based and in vivo data beyond the IC50 values have not been extensively reported in the available literature.
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| ln Vivo |
In vivo activity data for CCK antagonist 1 are not available in the current scientific literature. As a CCK receptor antagonist, the compound would be expected to have effects on CCK-mediated processes in vivo, such as satiety, anxiety, and tumor growth. However, specific animal model studies, dosing regimens, and quantitative outcomes have not been reported. The compound's ability to cross the blood-brain barrier, which is important for CNS applications, and its pharmacokinetic properties would be important considerations for in vivo studies. Further in vivo studies would be required to characterize its efficacy, safety, and pharmacokinetic properties in animal models of cancer and mental illness.
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| Enzyme Assay |
In vitro receptor binding assay protocols for CCK antagonist 1 would typically involve measuring its inhibition of radiolabeled CCK binding to CCK1 and CCK2 receptors. A standard protocol would involve incubating membrane preparations from cells expressing CCK1 or CCK2 receptors with a radiolabeled CCK ligand (e.g., 125I-CCK or 3H-CCK) and varying concentrations of CCK antagonist 1 (typically 0.1 nM to 100 μM). Non-specific binding is determined in the presence of excess unlabeled CCK. Bound radioactivity is separated by filtration and quantified by scintillation counting. IC50 values are determined from competition curves. Functional assays measuring CCK-induced calcium mobilization or cAMP inhibition in cells expressing CCK receptors can also be used to assess antagonist activity.
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| Cell Assay |
In vitro cell-based assay protocols for CCK antagonist 1 would typically involve assessing its effects on CCK-mediated signaling in cultured cells. A standard protocol would involve seeding cells expressing CCK1 or CCK2 receptors in multi-well plates and loading them with a calcium-sensitive fluorescent dye. Cells are treated with varying concentrations of CCK antagonist 1 (typically 0.1 nM to 100 μM) and then stimulated with a CCK agonist (e.g., CCK-8). The inhibition of calcium mobilization is measured using a fluorescence plate reader, and IC50 values are determined from concentration-response curves. For studies of cancer, cell proliferation and apoptosis can be assessed in cancer cell lines treated with the compound. Appropriate controls include vehicle-treated cells and cells treated with a known CCK antagonist.
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| Animal Protocol |
In vivo animal experimental protocols for CCK antagonist 1 have not been reported in the available literature. Based on its potential use in research on cancer and mental illness, potential studies might involve using mouse models of cancer or anxiety. A hypothetical protocol for anxiety studies would involve administering CCK antagonist 1 via oral gavage or intraperitoneal injection to mice and assessing anxiety-like behaviors using the elevated plus maze or open field test. For cancer studies, the compound could be administered in xenograft models, and tumor growth would be monitored. Appropriate controls would include vehicle-treated groups.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CCK antagonist 1 have not been characterized in published studies. The compound has a molecular weight of 374.44 and a molecular formula of C22H22N4O2. It is supplied as a solid powder. Specific PK parameters such as half-life, Cmax, AUC, bioavailability, volume of distribution, and clearance have not been reported. The compound's ability to cross the blood-brain barrier, which is important for CNS applications, has not been assessed. The compound's metabolism, protein binding, and routes of elimination remain to be characterized. Further pharmacokinetic studies would be required to understand its absorption, distribution, metabolism, and excretion profile.
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| References | |
| Additional Infomation |
CCK antagonist 1 (compound 3d) is a research-grade compound that functions as a cholecystokinin receptor antagonist with IC50 values of 1.1 μM for CCK1 and 4 μM for CCK2. It can be used in research on cancer and mental illness. The compound has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action involves antagonism of CCK1 and CCK2 receptors, modulating CCK signaling pathways. The compound is available exclusively for research purposes and is not intended for diagnostic, therapeutic, or human applications.
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| Molecular Formula |
C22H22N4O2
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|---|---|
| Molecular Weight |
374.4357
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| Exact Mass |
374.174
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| CAS # |
742116-45-6
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| PubChem CID |
2430668
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| Appearance |
White to off-white solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
640
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC3=CNC4=CC=CC=C43
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| InChi Key |
RNBKBGYUBUTRLC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H22N4O2/c1-15-21(22(28)26(25(15)2)17-8-4-3-5-9-17)24-20(27)13-12-16-14-23-19-11-7-6-10-18(16)19/h3-11,14,23H,12-13H2,1-2H3,(H,24,27)
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| Chemical Name |
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1H-indol-3-yl)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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 :~125 mg/mL (~333.83 mM; with sonication)
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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 | 2.6707 mL | 13.3533 mL | 26.7065 mL | |
| 5 mM | 0.5341 mL | 2.6707 mL | 5.3413 mL | |
| 10 mM | 0.2671 mL | 1.3353 mL | 2.6707 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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