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| Targets |
The primary target of GPR30 agonist-1 is G Protein-Coupled Receptor 30 (GPR30/GPER), a membrane-bound estrogen receptor that mediates rapid estrogen signaling. It is a specific and potent agonist of this receptor, activating downstream pathways such as PI3K/AKT and MAPK/ERK, which are involved in cell proliferation, migration, and vasodilation.
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| ln Vitro |
GPR30 agonist-1 induces a concentration-dependent relaxation (vasorelaxation) in isolated carotid arteries from both male and female rats, with effects observed across a concentration range of 1 nM to 10 microM. The signaling is endothelium-dependent, as the effect is abolished by endothelium removal. It is also blocked by the nitric oxide synthase inhibitor L-NAME, confirming the involvement of the NO pathway.
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| ln Vivo |
In male and female rats, GPR30 agonist-1 (compound 5408-0877) (1 nM-10 μM) causes a concentration-dependent relaxation in the carotid arteries. Removal of the endothelium eliminates GPR30 agonist-1-induced relaxation, which is also eliminated when NG-nitro-l-arginine methyl ester (100 μM), an inhibitor of nitric oxide synthase, is present[1].
When administered in vivo, GPR30 agonist-1 demonstrates vasodilatory effects. It acts directly on the vascular endothelium to induce relaxation of blood vessels. This activity indicates its potential role in regulating cardiovascular function and blood pressure through non-genomic estrogen signaling pathways. |
| Enzyme Assay |
GPR30 agonist-1 is not typically used in classical cell-free enzyme assays as it is a GPCR agonist. Assays are performed using membrane preparations expressing GPR30. The compound is incubated with the membranes and a non-hydrolyzable, radiolabeled GTP analog (e.g., [3⁵S]GTPgammaS). Activation of the G protein leads to increased binding of the radiolabel, and the EC50 is determined by liquid scintillation counting.
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| Cell Assay |
Human umbilical vein endothelial cells (HUVECs) or other vascular endothelial cells are used to assess the agonist's effects. Cells are seeded in monolayers, serum-starved, and then treated with a dilution series of GPR30 agonist-1. The end-point is typically the measurement of intracellular nitric oxide (NO) production using a fluorescent dye (e.g., DAF-FM diacetate) or a chemiluminescence-based assay.
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| Animal Protocol |
The in vivo vasorelaxant activity of GPR30 agonist-1 is evaluated in male and female rats. Following anesthesia, the carotid artery is isolated and mounted in a wire myograph system for isometric tension recording. The artery is pre-constricted with a vasoconstrictor (e.g., phenylephrine or KCl), and the test compound is added cumulatively (1 nM to 10 microM) to the organ bath. The relaxation response is measured as a percentage of the pre-constricted tone.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) profile of GPR30 agonist-1 is actively being characterized to support its use as an in vivo probe for cardiovascular research. Studies are focused on its bioavailability, tissue distribution (particularly in the vasculature), and metabolic stability to determine the duration of its vasodilatory effects.
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| Toxicity/Toxicokinetics |
Toxicological studies for GPR30 agonist-1 are limited, as it is primarily a research tool. It is generally regarded as safe for laboratory applications when handled with standard precautions. Its selectivity for GPR30 and lack of effect on classical estrogen receptors suggest it may have a distinct and potentially safer profile compared to general estrogenic compounds.
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| References | |
| Additional Infomation |
GPR30 agonist-1 is a specialized chemical probe essential for studying non-genomic estrogen signaling. Its use helps delineate the specific contributions of GPR30 in various physiological and pathological processes, including breast cancer, cardiovascular function, and metabolic disorders. It is for research use only and not intended for human use.
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| Molecular Formula |
C19H17BRFNO
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|---|---|
| Molecular Weight |
374.25
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| Exact Mass |
373.047
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| CAS # |
415919-74-3
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| PubChem CID |
1131343
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| Appearance |
White to off-white solid powder
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| LogP |
5.1
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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 |
2
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| Heavy Atom Count |
23
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| Complexity |
459
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| Defined Atom Stereocenter Count |
3
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| SMILES |
BrC1C=CC(OC)=C([C@@H]2NC3=CC=C(F)C=C3[C@@]3([H])[C@]2([H])CC=C3)C=1
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| InChi Key |
YGLAUQAYNBUDIJ-BIENJYKASA-N
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| InChi Code |
InChI=1S/C19H17BrFNO/c1-23-18-8-5-11(20)9-16(18)19-14-4-2-3-13(14)15-10-12(21)6-7-17(15)22-19/h2-3,5-10,13-14,19,22H,4H2,1H3/t13-,14+,19-/m1/s1
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| Chemical Name |
(3aS,4R,9bR)-4-(5-bromo-2-methoxyphenyl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
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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: 50 mg/mL (133.60 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 | 2.6720 mL | 13.3601 mL | 26.7201 mL | |
| 5 mM | 0.5344 mL | 2.6720 mL | 5.3440 mL | |
| 10 mM | 0.2672 mL | 1.3360 mL | 2.6720 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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