| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
PAR2[1]
PAR2 (proteinase-activated receptor 2). AY77 is a calcium-biased agonist of PAR2. It preferentially activates the Gq-mediated calcium signaling pathway over the β-arrestin pathway, with EC50 values of 0.17 nM for Gq pathway activation and 2 nM for β-arrestin-2 recruitment. This biased agonism allows for the study of distinct PAR2 signaling pathways. |
|---|---|
| ln Vitro |
AY77 is a calcium-biased PAR2 agonist with EC50 values of 0.17 nM for Gq pathway activation and 2 nM for β-arrestin-2 recruitment. It potently induces intracellular Ca2+ release. It promotes migration of human breast cancer cells in vitro. Its biased activity makes it a valuable tool for dissecting the distinct roles of Gq and β-arrestin signaling downstream of PAR2.
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| ln Vivo |
In vivo, AY77 would be expected to exert PAR2-mediated effects through biased Gq signaling. By preferentially activating the Gq pathway, it could induce distinct physiological responses compared to unbiased PAR2 agonists. Its effects in vivo would be assessed in animal models of inflammation, pain, and cancer, with a focus on understanding the role of biased PAR2 signaling.
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| Enzyme Assay |
In vitro functional assays are used to characterize AY77 as a biased PAR2 agonist. Calcium mobilization assays measure Gq pathway activation, while β-arrestin recruitment assays measure the alternative pathway. AY77 shows EC50 values of 0.17 nM for Gq pathway activation and 2 nM for β-arrestin-2 recruitment.
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| Cell Assay |
Cellular assays for AY77 involve treating PAR2-expressing cells with the compound and measuring biased signaling responses. Intracellular calcium release is measured as a readout of Gq pathway activation, while β-arrestin recruitment is measured using BRET or similar assays. These assays confirm the compound's biased agonism at PAR2.
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| Animal Protocol |
In vivo studies with AY77 would be performed in animal models to investigate biased PAR2 signaling in disease. The compound could be administered via injection, and its effects on inflammation, pain, and tumor progression would be assessed. Its biased activity allows for the dissection of Gq-mediated versus β-arrestin-mediated effects of PAR2 activation in vivo.
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| ADME/Pharmacokinetics |
AY77 is a small molecule with molecular formula C21H32N4O4 and molecular weight of 404.50. As a biased PAR2 agonist, its pharmacokinetic properties would be characteristic of small-molecule GPCR ligands. The compound should be stored under recommended conditions. It is for research use only and not intended for human therapeutic use.
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| Toxicity/Toxicokinetics |
No specific toxicity data is available for AY77. As a PAR2 agonist, its safety profile would be an important consideration. Potential toxicities could be related to its effects on PAR2-mediated inflammation and pain signaling. Standard preclinical safety studies would be required to evaluate its safety for potential therapeutic applications.
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| References | |
| Additional Infomation |
AY77 (CAS#: 1835734-92-3) is a calcium-biased PAR2 agonist with EC50 values of 0.17 nM for Gq pathway activation and 2 nM for β-arrestin-2 recruitment. It potently induces intracellular Ca2+ release and promotes migration of human breast cancer cells in vitro. It has a molecular formula of C21H32N4O4 and a molecular weight of 404.50. It is a research tool for studying biased PAR2 signaling.
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| Molecular Formula |
C21H32N4O4
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|---|---|
| Molecular Weight |
404.503185272217
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| Exact Mass |
404.242
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| CAS # |
1835734-92-3
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| PubChem CID |
137654325
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.8
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
29
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| Complexity |
573
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C2CCCCC2)C(=O)N)NC(=O)C3=CC=NO3
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| InChi Key |
CAYJNBJPGBBDAS-WMZOPIPTSA-N
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| InChi Code |
InChI=1S/C21H32N4O4/c22-19(26)18(15-9-5-2-6-10-15)25-20(27)16(13-14-7-3-1-4-8-14)24-21(28)17-11-12-23-29-17/h11-12,14-16,18H,1-10,13H2,(H2,22,26)(H,24,28)(H,25,27)/t16-,18-/m0/s1
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| Chemical Name |
N-[(2S)-1-[[(1S)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-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 | 2.4722 mL | 12.3609 mL | 24.7219 mL | |
| 5 mM | 0.4944 mL | 2.4722 mL | 4.9444 mL | |
| 10 mM | 0.2472 mL | 1.2361 mL | 2.4722 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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