| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
Muscarinic acetylcholine receptors (mAChR), specifically targeting the M-type receptor subfamily. It acts as a potent antagonist at these receptors, blocking the binding of acetylcholine and inhibiting downstream signaling cascades. The compound exhibits high selectivity for mAChR over other receptor types, making it a valuable tool for studying cholinergic function.
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| ln Vitro |
Demonstrates potent antagonist activity with an IC50 value of 17 nM at mAChR. In receptor binding assays, mAChR-IN-1 hydrochloride effectively displaces radiolabeled ligands from mAChR with high affinity. The compound shows no significant activity at other related receptors, confirming its selectivity profile. Detailed dose-response curves demonstrate complete inhibition of receptor activation at saturating concentrations.
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| ln Vivo |
No extensive in vivo data reported for this compound. As a research-grade antagonist, its primary application is in ex vivo and in vitro receptor studies. For in vivo applications, it can be formulated in 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline at 2 mg/mL. Further in vivo characterization including pharmacokinetics and efficacy in animal models would be required for therapeutic development.
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| Enzyme Assay |
Competitive radioligand binding assays are performed using membrane preparations from cells expressing recombinant mAChR. Increasing concentrations of mAChR-IN-1 hydrochloride (0.1 nM - 10 μM) are incubated with a fixed concentration of a radiolabeled mAChR antagonist (e.g., [³H]-NMS) in assay buffer (50 mM Tris-HCl, pH 7.4, 5 mM MgCl₂) for 60-120 minutes at room temperature. Nonspecific binding is determined using 1 μM atropine. Bound radioactivity is separated by rapid filtration through GF/B glass fiber filters and quantified by scintillation counting. IC50 values are calculated by nonlinear regression analysis.
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| Cell Assay |
No specific cell-based assay protocols are documented for this compound. For cellular functional assays, cells endogenously or heterologously expressing mAChR are pre-incubated with varying concentrations of mAChR-IN-1 hydrochloride (0.1 nM - 10 μM) for 30-60 minutes prior to stimulation with the muscarinic agonist carbachol (1-10 μM). Receptor activation is measured by detecting intracellular calcium mobilization using fluorescent calcium indicators (e.g., Fluo-4 AM) or by measuring downstream signaling via IP1 accumulation assays. Inhibition curves are generated and IC50 values are calculated.
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| Animal Protocol |
No specific in vivo animal models are documented for mAChR-IN-1 hydrochloride. For potential in vivo studies, the compound can be administered via intravenous, intraperitoneal, or oral routes in rodents. A typical formulation uses 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline at a concentration of 2 mg/mL. Doses would be selected based on preliminary pharmacokinetic and tolerability assessments. Endpoints may include behavioral tests, physiological parameter monitoring, or ex vivo receptor occupancy measurements.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data are available for mAChR-IN-1 hydrochloride. Based on its physicochemical properties (molecular weight 524.82, LogP estimated ~3-4), the compound is expected to have moderate lipophilicity and reasonable cell permeability. It is soluble in DMSO at 65 mg/mL (123.85 mM). Formulation in aqueous vehicles requires co-solvents such as PEG300 and Tween 80. Further PK studies including plasma half-life, clearance, volume of distribution, and oral bioavailability would be necessary for in vivo applications.
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| Toxicity/Toxicokinetics |
No toxicity data are specifically documented for mAChR-IN-1 hydrochloride. As with all research chemicals, appropriate safety precautions should be taken during handling. The compound is intended for research use only and is not approved for human therapeutic applications. Standard laboratory safety practices including the use of personal protective equipment (gloves, lab coat, safety goggles) and proper ventilation should be followed. Toxicity profiling including acute toxicity, genotoxicity, and organ-specific toxicity would be required for any therapeutic development.
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| Additional Infomation |
mAChR-IN-1 hydrochloride (CAS: 119391-73-0) is a research-grade compound supplied as a hydrochloride salt. It has a purity of ≥99% and appears as a white to off-white solid. The compound should be stored as powder at -20°C for up to 3 years or in solution at -80°C for up to 1 year. It is not approved for clinical use and is intended solely for laboratory research applications. The compound is commonly used as a pharmacological tool in receptor characterization studies.
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| Molecular Formula |
C23H26CLIN2O2
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|---|---|
| Molecular Weight |
524.822217464447
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| Exact Mass |
524.072
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| CAS # |
119391-73-0
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| PubChem CID |
138377592
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
561
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I.Cl
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| InChi Key |
LZPQCDPVLUEOSL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25IN2O2.ClH/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28;/h1-9,19H,10-16H2,(H,25,27,28);1H
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| Chemical Name |
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione;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 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)
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| Solubility (In Vitro) |
DMSO : ~65 mg/mL (~123.85 mM)
H2O : ~1 mg/mL (~1.91 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (4.13 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 21.7 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: ≥ 2.17 mg/mL (4.13 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 21.7 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: ≥ 2.17 mg/mL (4.13 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 | 1.9054 mL | 9.5271 mL | 19.0542 mL | |
| 5 mM | 0.3811 mL | 1.9054 mL | 3.8108 mL | |
| 10 mM | 0.1905 mL | 0.9527 mL | 1.9054 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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