| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
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| Targets |
PAC1R antagonist 1 targets the PAC1 receptor (pituitary adenylate cyclase-activating polypeptide type I receptor), a G protein-coupled receptor activated by PACAP. PAC1 is involved in pain transmission, neuroprotection, and immune regulation. The compound is a potent and orally active antagonist of PAC1. By blocking PAC1, it inhibits PACAP- and nerve injury-induced allodynia, suggesting potential applications in pain management and immune-related disorders.
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| ln Vitro |
In vitro, PAC1R antagonist 1 is a potent antagonist of the PAC1 receptor, blocking PACAP-induced signaling. It inhibits PACAP-induced cAMP accumulation or calcium mobilization in cells expressing PAC1. However, specific IC50 values and detailed in vitro activity data are not extensively reported in the available literature. The compound shows potential for pain and immune research.
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| ln Vivo |
In vivo, PAC1R antagonist 1 inhibits PACAP- and nerve injury-induced allodynia, demonstrating analgesic effects. The compound is orally active, making it suitable for oral administration. It may also have applications in research on neoplasms and immune-related disorders. However, specific in vivo efficacy data are not extensively detailed.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for PAC1R antagonist 1 typically involve radioligand binding assays using membranes from cells expressing PAC1. Membrane preparations are incubated with a radiolabeled PAC1 ligand (e.g., 125I-PACAP27) and various concentrations of the compound (typically 0.001-100 μM) at room temperature for 1-2 hours. Bound radioactivity is measured by filtration and scintillation counting. Functional assays measure PACAP-induced cAMP accumulation in PAC1-expressing cells.
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| Cell Assay |
In vitro cellular assays for PAC1R antagonist 1 use cells expressing PAC1 (e.g., CHO or HEK293 cells transfected with PAC1). Cells are cultured in appropriate media and treated with various concentrations of the compound (typically 0.001-100 μM) for 10-30 minutes before stimulation with PACAP. cAMP levels are measured by ELISA or HTRF. Calcium mobilization is measured using Fluo-4. Receptor antagonism is assessed by inhibition of PACAP-induced responses.
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| Animal Protocol |
In vivo animal studies with PAC1R antagonist 1 typically use mouse models of pain or nerve injury. In the spared nerve injury (SNI) or chronic constriction injury (CCI) models, mice are treated with the compound orally at doses of 1-30 mg/kg daily for 7-14 days. Mechanical allodynia and thermal hyperalgesia are assessed using von Frey filaments and hot plate tests. In cancer models, tumor growth and immune responses may be evaluated.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PAC1R antagonist 1: The compound is orally active, suggesting good oral bioavailability. Specific PK parameters such as Cmax, Tmax, AUC, half-life, and tissue distribution are not extensively reported. The compound has a molecular weight of 372.81.
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| Toxicity/Toxicokinetics |
The toxicity profile of PAC1R antagonist 1 is not extensively reported. The compound is for research use only and not for human therapeutic use. Standard toxicity studies would include acute and subchronic oral toxicity in rodents.
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| References | |
| Additional Infomation |
PAC1R antagonist 1 (CAS 2305204-24-2, compound 3d) is a potent and orally active antagonist of the PAC1 receptor. It inhibits PACAP- and nerve injury-induced allodynia and has potential applications in pain, neoplasm, and immune-related disorder research. The compound is available for research purposes only.
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| Molecular Formula |
C17H17CLN6O2
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|---|---|
| Molecular Weight |
372.808881521225
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| Exact Mass |
372.11
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| CAS # |
2305204-24-2
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| PubChem CID |
142550469
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| Appearance |
White to off-white solid powder
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| LogP |
1
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
549
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(C2C3=C(NN=2)C(Cl)=CC=C3)C(=O)CC(C(NCCC2NC=NC=2)=O)C1
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| InChi Key |
MCXQHNLGSHUYBL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H17ClN6O2/c18-13-3-1-2-12-15(13)22-23-16(12)24-8-10(6-14(24)25)17(26)20-5-4-11-7-19-9-21-11/h1-3,7,9-10H,4-6,8H2,(H,19,21)(H,20,26)(H,22,23)
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| Chemical Name |
1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-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) |
DMSO: ~33.3 mg/mL (~89.4 mM; with ultrasonication and warming by heating to 160°C)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.71 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (6.71 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: 2.5 mg/mL (6.71 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6823 mL | 13.4117 mL | 26.8233 mL | |
| 5 mM | 0.5365 mL | 2.6823 mL | 5.3647 mL | |
| 10 mM | 0.2682 mL | 1.3412 mL | 2.6823 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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