| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
SHR1653 targets the oxytocin receptor (OTR), a G protein-coupled receptor that mediates the effects of oxytocin, a neuropeptide involved in social behavior, stress response, and reproductive regulation. As a potent and selective antagonist with an IC₅0 of 15 nM, SHR1653 blocks oxytocin-mediated signaling. Its brain-penetrating properties make it suitable for studying central nervous system effects of oxytocin.
|
|---|---|
| ln Vitro |
In vitro, SHR1653 is a highly potent and selective OTR antagonist with an IC₅0 of 15 nM for the human OTR. Its high potency and selectivity make it a valuable tool for studying oxytocin receptor biology and signaling. The compound's inhibitory activity is typically assessed in receptor binding and functional assays measuring OTR-mediated signaling.
|
| ln Vivo |
In vivo studies of SHR1653 are focused on evaluating its effects in animal models of social behavior, stress, and reproductive function. As a brain-penetrating OTR antagonist, the compound can be used to study the role of oxytocin signaling in the central nervous system. Further in vivo studies are needed to fully characterize its efficacy, safety, and pharmacokinetic profile in various behavioral and physiological models.
|
| Enzyme Assay |
For in vitro receptor binding assays, SHR1653 is evaluated using radioligand binding studies with membranes expressing the human oxytocin receptor. Competition binding experiments using a labeled OTR ligand can determine the compound's affinity for the receptor. Functional antagonist activity is assessed using cell-based assays measuring OTR-mediated signaling, such as calcium mobilization or cAMP modulation. IC₅0 values are determined from dose-response curves.
|
| Cell Assay |
For in vitro cellular experiments, SHR1653 is tested in cell lines expressing the oxytocin receptor. Cells are cultured in appropriate media and treated with various concentrations of the compound in the presence of oxytocin. Receptor activation is measured using calcium-sensitive dyes or other functional readouts. The compound's effects on downstream signaling pathways are further investigated. Selectivity profiling against other receptors is performed to confirm specificity.
|
| Animal Protocol |
For in vivo animal experiments, SHR1653 can be administered to rodents via various routes including oral gavage, intravenous injection, or intraperitoneal injection. The compound's effects on social behavior, stress response, and reproductive function can be evaluated in appropriate behavioral models. Typical doses may range from 0.1 to 10 mg/kg. Behavioral assays, physiological parameters, and pharmacodynamic markers are assessed.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of SHR1653 include brain penetration, supporting its use in central nervous system studies. As a small molecule with a molecular weight of 429.88, it is likely to have reasonable oral bioavailability and tissue distribution. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies.
|
| Toxicity/Toxicokinetics |
Toxicological data for SHR1653 are limited, as it is primarily a research tool. As an OTR antagonist, its toxicity would depend on the importance of oxytocin signaling for normal physiological functions. Comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and reproductive toxicity assessments would be needed for further development. Appropriate safety precautions should be taken when handling this compound.
|
| References | |
| Additional Infomation |
SHR1653 is a research compound used to study oxytocin receptor biology and neuropharmacology. No clinical trials or regulatory approvals have been reported for this compound as a therapeutic agent. It is available from various chemical suppliers for research purposes only. The compound is a highly potent, selective, and brain-penetrating OTR antagonist.
|
| Molecular Formula |
C21H21CLFN5O2
|
|---|---|
| Molecular Weight |
429.88
|
| Exact Mass |
429.136
|
| CAS # |
2231770-73-1
|
| Related CAS # |
2231770-73-1;
|
| PubChem CID |
135192983
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
3.1
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
30
|
| Complexity |
620
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
C1(=C(C=C(C=C1)F)Cl)[C@@]12CN(C3=NN=C(COC)N3C3C=CC(OC)=NC=3)C[C@@H]1C2
|
| InChi Key |
UYKVJQCPBDDIFD-ZSEKCTLFSA-N
|
| InChi Code |
InChI=1S/C21H21ClFN5O2/c1-29-11-18-25-26-20(28(18)15-4-6-19(30-2)24-9-15)27-10-13-8-21(13,12-27)16-5-3-14(23)7-17(16)22/h3-7,9,13H,8,10-12H2,1-2H3/t13-,21-/m0/s1
|
| Chemical Name |
(1S,5R)-1-(2-chloro-4-fluorophenyl)-3-[5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane
|
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~232.62 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.82 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.82 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.82 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3262 mL | 11.6312 mL | 23.2623 mL | |
| 5 mM | 0.4652 mL | 2.3262 mL | 4.6525 mL | |
| 10 mM | 0.2326 mL | 1.1631 mL | 2.3262 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
