| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
|
||
| 100mg |
|
||
| 500mg | |||
| Other Sizes |
| Targets |
NCRW0005-F05 targets the orphan G protein-coupled receptor GPR139. GPR139 is predominantly expressed in the central nervous system and is implicated in various physiological processes. As the first reported selective antagonist for this target, NCRW0005-F05 is a crucial tool for studying GPR139 pharmacology. It is often used in combination with the GPR139 agonist JNJ 63533054 to study receptor function. The antagonist's ability to block GPR139 activity makes it valuable for investigating the receptor's role in metabolic and neurological disorders.
|
|---|---|
| ln Vitro |
In vitro, NCRW0005-F05 demonstrates potent antagonistic activity against GPR139 with an IC50 value of 0.21 µM. It is the highest-affinity antagonist of this orphan receptor identified via high-throughput screening. This potent activity makes it a superior tool compared to other antagonists like LP-471756, which is 3-fold less potent. The compound's in vitro potency is well-characterized and supports its use in a variety of cellular and biochemical assays.
|
| ln Vivo |
In vivo, NCRW0005-F05 has demonstrated efficacy in modulating fear memory consolidation in zebrafish. It is a valuable tool for studying the role of GPR139 in various physiological and pathological processes. The compound is used in research on diabetes, obesity, and Parkinson's disease. Its proven in vivo efficacy in zebrafish models supports its potential for investigating GPR139-related pathways in more complex systems.
|
| Enzyme Assay |
The binding affinity and antagonist activity of NCRW0005-F05 are measured using radioligand binding or functional assays with recombinant GPR139 protein. IC50 values are determined from dose-response curves. High-throughput screening was used to identify the compound. Typical assay protocols involve incubating the compound with GPR139-expressing cell membranes in the presence of a radiolabeled ligand, followed by filtration and scintillation counting to determine displacement.
|
| Cell Assay |
The cellular activity of NCRW0005-F05 is evaluated in GPR139-expressing cell lines. Cells are treated with the compound, and receptor antagonism is assessed by measuring downstream signaling or second messenger responses. Functional assays such as calcium mobilization or cAMP accumulation are commonly used to quantify GPR139 activity in the presence of the antagonist.
|
| Animal Protocol |
In vivo studies of NCRW0005-F05 are conducted in zebrafish models to assess its effects on fear memory consolidation. The compound is typically administered via immersion or injection, and behavioral assays are performed to evaluate memory and learning. Further studies in mammalian models would be required to fully characterize its in vivo efficacy.
|
| ADME/Pharmacokinetics |
NCRW0005-F05 has a molecular formula of C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one. The compound is a solid with a purity of 99%. It is soluble in DMSO at ≥100 mg/mL. For storage, the powder should be kept at -20°C. The compound has favorable drug-like characteristics with zero Lipinski violations and a cLogP of 3.09.
|
| Toxicity/Toxicokinetics |
Comprehensive toxicological data for NCRW0005-F05 are limited, as it is intended for research use only and not for therapeutic purposes. Standard laboratory safety precautions should be followed when handling this compound. No significant toxicity has been reported in the available literature at the concentrations used for in vitro studies.
|
| References | |
| Additional Infomation |
NCRW0005-F05 is the first GPR139 antagonist identified. It is a valuable tool for studying the orphan GPR139 receptor and its role in metabolic and neurological disorders. The compound can be used to research diabetes, obesity, and Parkinson's disease. Its favorable drug-like properties support reliable performance in cellular models of metabolic disease. The compound is available from multiple reputable vendors with certified purity.
|
| Molecular Formula |
C16H13F2NO2
|
|---|---|
| Molecular Weight |
289.28
|
| Exact Mass |
289.09
|
| Elemental Analysis |
C, 66.43; H, 4.53; F, 13.13; N, 4.84; O, 11.06
|
| CAS # |
342779-66-2
|
| PubChem CID |
5017692
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.2
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
21
|
| Complexity |
388
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
FC1(F)C(C2C=CC(OC)=CC=2)N(C2C=CC=CC=2)C1=O
|
| InChi Key |
AIIIYUSGINMZMS-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H13F2NO2/c1-21-13-9-7-11(8-10-13)14-16(17,18)15(20)19(14)12-5-3-2-4-6-12/h2-10,14H,1H3
|
| Chemical Name |
3,3-Difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
|
| Synonyms |
NCRW0005F05
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~345.69 mM)
|
|---|---|
| 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 | 3.4569 mL | 17.2843 mL | 34.5686 mL | |
| 5 mM | 0.6914 mL | 3.4569 mL | 6.9137 mL | |
| 10 mM | 0.3457 mL | 1.7284 mL | 3.4569 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
