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| 10mg |
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| Targets |
C3a receptor (C3aR). C3a receptor agonist 1 is a small molecule designed to selectively activate the C3a receptor, a key component of the complement system involved in inflammatory responses. The C3a receptor is a GPCR that mediates the effects of the anaphylatoxin C3a. By binding and activating this receptor, the agonist triggers downstream signaling pathways that modulate immune cell chemotaxis, degranulation, and cytokine production.
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| ln Vitro |
No specific in vitro activity data has been reported for C3a receptor agonist 1 beyond its receptor agonist properties. As a potent C3a receptor agonist, it is expected to activate C3aR-mediated signaling pathways in vitro, including calcium mobilization, ERK phosphorylation, and chemotaxis in C3aR-expressing cells such as mast cells, eosinophils, and macrophages. The compound's potency can be characterized by its EC50 for receptor activation in functional assays.
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| ln Vivo |
No in vivo activity data has been reported for C3a receptor agonist 1 in the available literature. As a research compound for studying acute inflammation, its in vivo efficacy would typically be evaluated in murine models of inflammatory diseases, such as zymosan-induced peritonitis or LPS-induced systemic inflammation. The compound may be administered via various routes depending on the experimental design, and efficacy endpoints would include inflammatory cell infiltration, cytokine levels, and tissue pathology.
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| Enzyme Assay |
Receptor binding assays are used to characterize the interaction of C3a receptor agonist 1 with C3aR. Radioligand binding assays or surface plasmon resonance can be performed using membranes from cells expressing recombinant human C3aR, with increasing concentrations of the agonist to determine binding affinity (Kd or Ki). Competition binding assays with labeled C3a or known C3aR ligands can confirm the compound's binding to the orthosteric site.
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| Cell Assay |
Cellular functional assays are employed to evaluate the agonist activity of C3a receptor agonist 1. C3aR-expressing cell lines (e.g., RBL-2H3 cells transfected with human C3aR, or primary immune cells such as mast cells and macrophages) are treated with increasing concentrations of the compound. Receptor activation is measured by downstream signaling readouts such as intracellular calcium mobilization (using fluorescent calcium indicators), ERK phosphorylation (by Western blot), or chemotaxis in Boyden chamber assays. The EC50 for receptor activation is determined from dose-response curves.
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| Animal Protocol |
No animal experiments have been reported for C3a receptor agonist 1. For C3aR agonists, typical in vivo efficacy studies would involve murine models of acute inflammation. The compound would be administered via intraperitoneal, intravenous, or subcutaneous injection at doses determined from preliminary pharmacokinetic studies. Efficacy would be assessed by measuring inflammatory cell recruitment, cytokine production, and tissue edema in models such as zymosan-induced peritonitis or carrageenan-induced paw edema.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of C3a receptor agonist 1 have not been reported. The compound has a molecular weight of 433.59 g/mol and a logP of 5.263, indicating moderate lipophilicity. It is soluble in DMSO (250 mg/mL) and has good powder stability (3 years at -20°C, 2 years at 4°C). In solvent, stability is 6 months at -80°C and 1 month at -20°C (protect from light). As a small molecule, it may have oral bioavailability if formulated appropriately.
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| Toxicity/Toxicokinetics |
No toxicity data has been reported for C3a receptor agonist 1. As a research-use-only compound, standard safety precautions should be observed when handling. The compound is not intended for human therapeutic use. Preliminary toxicity screening would typically involve assessment of cell viability in relevant cell lines, CYP450 inhibition profiling, and hERG channel binding studies to evaluate potential cardiotoxicity risks prior to in vivo studies.
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| References | |
| Additional Infomation |
C3a receptor agonist 1 (compound benzoacetamide) is a potent C3a receptor agonist used for studying acute inflammation. It has a molecular formula of C27H35N3O2 and molecular weight of 433.59. The IUPAC name is 2-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide. It is supplied as a white to off-white solid with >98% purity and requires protection from light during storage. The compound is for research use only and not for human or veterinary use.
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| Molecular Formula |
C27H35N3O2
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| Molecular Weight |
433.59
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| Exact Mass |
433.273
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| CAS # |
944997-60-8
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| PubChem CID |
44430519
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| Appearance |
White to off-white solid powder
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| LogP |
5.263
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
32
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| Complexity |
590
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC(CC1)C(C2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4
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| InChi Key |
RMFOYNMWESQGBZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H35N3O2/c31-25(14-13-21-8-7-17-28-20-21)30-18-15-24(16-19-30)29-27(32)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,17,20,23-24,26H,2,5-6,11-16,18-19H2,(H,29,32)
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| Chemical Name |
2-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
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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: 250 mg/mL (576.58 mM)
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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 | 2.3063 mL | 11.5316 mL | 23.0633 mL | |
| 5 mM | 0.4613 mL | 2.3063 mL | 4.6127 mL | |
| 10 mM | 0.2306 mL | 1.1532 mL | 2.3063 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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