| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg | |||
| Other Sizes |
| Targets |
Oxytocin receptor (OT-R). OT-R antagonist 2 inhibits the rat oxytocin receptor with an IC50 of 0.33 microM. It is a nonpeptide, selective antagonist that also inhibits IP3 synthesis. The compound shows no significant activity at other related receptors.
|
|---|---|
| ln Vitro |
OT-R antagonist 2 inhibits the rat oxytocin receptor with an IC50 of 0.33 microM. It inhibits IP3 synthesis as part of its mechanism of action. The compound is a nonpeptide antagonist that selectively targets OT-R.
|
| ln Vivo |
No specific in vivo activity data is available for OT-R antagonist 2. As a selective oxytocin receptor antagonist, it has potential for in vivo studies investigating the role of oxytocin in social behavior, stress responses, and reproductive physiology. Such studies would involve administration to animal models with assessment of behavioral or physiological endpoints.
|
| Enzyme Assay |
In vitro receptor binding assays for OT-R antagonist 2 typically involve radioligand displacement using membrane preparations from cells expressing the rat oxytocin receptor. The compound's ability to inhibit IP3 synthesis is measured as a functional readout of receptor antagonism. IC50 values are determined from dose-response curves. Selectivity is assessed by testing against related receptors (e.g., vasopressin receptors).
|
| Cell Assay |
The in vitro cellular activity of OT-R antagonist 2 is evaluated in cells expressing the rat oxytocin receptor. Cells are treated with the compound and stimulated with oxytocin, and inhibition of downstream signaling (e.g., IP3 synthesis, calcium mobilization) is measured. The IC50 for inhibition of receptor-mediated signaling is determined from concentration-response curves.
|
| Animal Protocol |
No specific in vivo animal experimental protocols are available for OT-R antagonist 2. For studying oxytocin receptor function in vivo, the compound would typically be administered via intracerebroventricular (ICV) injection, intravenous injection, or oral gavage in rodent models. Behavioral assays (social interaction, maternal behavior, anxiety tests) and physiological measurements (blood pressure, uterine contractions) would be used as endpoints.
|
| ADME/Pharmacokinetics |
No specific pharmacokinetic data is available for OT-R antagonist 2. As a small molecule (molecular weight 471.55, formula C28H29N3O4), it is expected to have moderate lipophilicity and potential for blood-brain barrier penetration. The compound is a nonpeptide antagonist, suggesting it may have improved oral bioavailability compared to peptide-based antagonists.
|
| Toxicity/Toxicokinetics |
No specific toxicological data is available for OT-R antagonist 2. As a research compound intended for laboratory use, standard safety precautions should be observed. No clinical toxicity studies have been reported. The compound has not been evaluated for genotoxicity, carcinogenicity, or reproductive toxicity.
|
| References | |
| Additional Infomation |
OT-R antagonist 2 is a nonpeptide, low molecular weight antagonist of the oxytocin receptor with an IC50 of 0.33 microM for the rat OT-R. It inhibits IP3 synthesis and is used in endocrinology and neuroscience research to study oxytocin's role in social bonding and other physiological processes. It is not approved for clinical use and is intended for research purposes only.
|
| Molecular Formula |
C28H29N3O4
|
|---|---|
| Molecular Weight |
471.547567129135
|
| Exact Mass |
471.215
|
| CAS # |
364071-16-9
|
| Related CAS # |
OT-R antagonist 1;364071-17-0
|
| PubChem CID |
6918604
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Index of Refraction |
1.618
|
| LogP |
2.8
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
35
|
| Complexity |
743
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3C/C(=N/OC)/C[C@H]3C(=O)NC[C@H](C4=CC=CC=C4)O
|
| InChi Key |
IBXGJPAYWMFXSF-OLFRMSBUSA-N
|
| InChi Code |
InChI=1S/C28H29N3O4/c1-19-8-6-7-11-24(19)20-12-14-22(15-13-20)28(34)31-18-23(30-35-2)16-25(31)27(33)29-17-26(32)21-9-4-3-5-10-21/h3-15,25-26,32H,16-18H2,1-2H3,(H,29,33)/b30-23+/t25-,26+/m0/s1
|
| Chemical Name |
(2S,4E)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
|
| 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) |
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
|
|---|---|
| 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 | 2.1207 mL | 10.6033 mL | 21.2067 mL | |
| 5 mM | 0.4241 mL | 2.1207 mL | 4.2413 mL | |
| 10 mM | 0.2121 mL | 1.0603 mL | 2.1207 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
