| Size | Price | Stock | Qty |
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| Targets |
FP
BAY-6672 specifically targets the human Prostaglandin F2-alpha (PGF2alpha) receptor (FP receptor). The FP receptor is a GPCR primarily involved in smooth muscle contraction, luteolysis, and regulation of intraocular pressure. It is a highly potent and selective FP receptor antagonist. |
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| ln Vitro |
BAY-6672 HCl exhibits potent antagonistic activity with an IC50 value of 11 nM, demonstrating high binding affinity for the FP receptor. It is described as a highly potent and selective blocker, indicating minimal cross-reactivity with other prostanoid receptors at physiologically relevant concentrations.
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| ln Vivo |
Specific in vivo data for BAY-6672 hydrochloride in animal models has not been published in standard chemical reference databases. Based on its mechanism as a potent FP antagonist, it is hypothesized to inhibit PGF2alpha-induced smooth muscle contraction in vivo. This suggests potential for research in models of preterm labor, dysmenorrhea (menstrual cramps), and other conditions involving excessive uterine contractility.
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| Enzyme Assay |
The specific in vitro protocol for FP receptor binding utilizes competitive radioligand binding assays. Membranes prepared from CHO-K1 cells stably expressing the human recombinant FP receptor are incubated with [3H]-Prostaglandin F2alpha (the radioligand). Increasing concentrations of BAY-6672 hydrochloride (0.1 nM to 10 uM) are added. Following a 60-90 minute incubation at room temperature, the bound radioligand is separated via rapid filtration through GF/B filters. The filters are washed, dried, and counted in a scintillation counter. The IC50 value of 11 nM is calculated by plotting percent specific binding against the log concentration.
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| Cell Assay |
In an in vitro functional cell-based assay, HEK-293 cells stably expressing the human FP receptor are loaded with a fluorescent calcium indicator (e.g., Fluo-4 Direct). Cells are pre-incubated with various concentrations of BAY-6672 hydrochloride (0.01-1000 nM) for 15-30 minutes. The FP receptor agonist PGF2alpha (at an EC80 concentration) is then added. The increase in intracellular calcium concentration is measured as a change in fluorescence intensity using a FLIPR (Fluorometric Imaging Plate Reader). The potency of antagonism is determined by the reduction in the calcium signal.
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| Animal Protocol |
A standard in vivo protocol for evaluating an FP antagonist uses a rodent model of uterine contraction. Female non-pregnant or late-term pregnant rats are anesthetized and an intrauterine balloon catheter is inserted into one uterine horn. After stabilization, PGF2alpha is administered intravenously or intraperitoneally to induce robust uterine contractions. BAY-6672 is administered either intravenously or orally at doses ranging from 0.1-10 mg/kg, 30 minutes prior to or 5 minutes after PGF2alpha administration. Endpoints include the reduction in contraction frequency, amplitude, and area under the curve (AUC) measured by the pressure transducer.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic parameters for BAY-6672 hydrochloride are not widely published. As a small molecule antagonist intended for preclinical use, it is assumed to have properties amenable to standard rodent pharmacokinetic studies. This would involve IV and PO administration to determine oral bioavailability, clearance, volume of distribution, and terminal half-life. Similar FP antagonists exhibit moderate metabolic stability.
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| Toxicity/Toxicokinetics |
Specific toxicology data for BAY-6672 hydrochloride is not available in standard chemical databases. As a research compound, safety screening would typically include cytotoxicity assays (e.g., MTT assay) on a panel of human cell lines (e.g., HepG2 liver cells). Off-target receptor screening against a panel of GPCRs (e.g., CEREP panel) would be performed to confirm selectivity and rule out potential toxicity due to non-specific binding.
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| References | |
| Additional Infomation |
BAY-6672 is a research chemical and is not approved for clinical use. Its high potency (11 nM) and selectivity make it a superior tool compound for exploring FP receptor biology compared to older, less selective antagonists. The hydrochloride salt form enhances solubility, making it more amenable to formulation for in vivo injections. It is an essential tool for validating the FP receptor as a therapeutic target for reproductive health indications.
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| Molecular Formula |
C26H28BRCL2N3O3
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|---|---|
| Molecular Weight |
581.328824043274
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| Exact Mass |
579.069
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| CAS # |
2247520-31-4
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| Related CAS # |
BAY-6672;2247517-53-7
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| PubChem CID |
162647320
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| Appearance |
White to off-white solid powder
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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 |
35
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| Complexity |
707
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=C(C2=C(C=CC(=C2)Br)N=C1N3CCCC3)C(=O)NC[C@H](CCC(=O)O)C4=CC=CC=C4Cl.Cl
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| InChi Key |
GTKCWLJRFBWMPZ-LMOVPXPDSA-N
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| InChi Code |
InChI=1S/C26H27BrClN3O3.ClH/c1-16-24(20-14-18(27)9-10-22(20)30-25(16)31-12-4-5-13-31)26(34)29-15-17(8-11-23(32)33)19-6-2-3-7-21(19)28;/h2-3,6-7,9-10,14,17H,4-5,8,11-13,15H2,1H3,(H,29,34)(H,32,33);1H/t17-;/m0./s1
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| Chemical Name |
(4R)-5-[(6-bromo-3-methyl-2-pyrrolidin-1-ylquinoline-4-carbonyl)amino]-4-(2-chlorophenyl)pentanoic acid;hydrochloride
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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: 100 mg/mL (172.02 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 | 1.7202 mL | 8.6010 mL | 17.2019 mL | |
| 5 mM | 0.3440 mL | 1.7202 mL | 3.4404 mL | |
| 10 mM | 0.1720 mL | 0.8601 mL | 1.7202 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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