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| Targets |
Glutaminyl Cyclase Inhibitor 1 targets glutaminyl cyclase (QC), an enzyme that catalyzes the conversion of N-terminal glutamine residues to pyroglutamate (pGlu) in peptides and proteins. This post-translational modification is important for the stability and function of many peptides and hormones, including amyloid-beta, which is implicated in Alzheimer's disease. By inhibiting QC with an IC₅0 of 0.5 microM, the compound modulates the formation of pyroglutamate-modified peptides.
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| ln Vitro |
Compound 23 is known as glutamyl cyclase inhibitor 1 [1].
In vitro, Glutaminyl Cyclase Inhibitor 1 is a glutaminyl cyclase inhibitor with an IC₅0 of 0.5 microM. By modulating QC activity, the compound serves as a useful research tool for investigating the role of pyroglutamate-modified peptides in various biological processes. Its inhibitory activity is typically assessed in biochemical assays using recombinant QC enzyme and a peptide substrate. The compound's potency and selectivity make it a valuable tool for studying QC biology. |
| ln Vivo |
In vivo studies of Glutaminyl Cyclase Inhibitor 1 are likely focused on evaluating its effects in animal models of neurodegenerative disorders, such as Alzheimer's disease. By inhibiting QC and reducing the formation of pyroglutamate-modified amyloid-beta, the compound may have potential for treating Alzheimer's disease. Further in vivo studies are needed to fully characterize its pharmacokinetic properties, bioavailability, and efficacy in disease models.
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| Enzyme Assay |
For in vitro enzyme/receptor binding assays, Glutaminyl Cyclase Inhibitor 1 is evaluated using enzymatic activity assays that measure QC-mediated conversion of a peptide substrate. The compound is incubated with recombinant QC enzyme and a fluorogenic or labeled peptide substrate at various concentrations. QC activity is quantified by measuring the formation of pyroglutamate-modified product using HPLC, mass spectrometry, or fluorescence-based methods. IC₅0 values are determined from dose-response curves.
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| Cell Assay |
For in vitro cellular experiments, Glutaminyl Cyclase Inhibitor 1 is tested in cell lines that express QC or produce pyroglutamate-modified peptides. Cells are cultured in appropriate media and treated with various concentrations of the compound. QC activity is assessed by measuring the levels of pyroglutamate-modified peptides in cell lysates or supernatants using immunoassays or mass spectrometry. The compound's effects on peptide processing and cellular function are further investigated.
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| Animal Protocol |
For in vivo animal experiments, Glutaminyl Cyclase Inhibitor 1 can be administered to rodents via various routes, including oral gavage, intravenous injection, or intraperitoneal injection. The compound's efficacy can be evaluated in animal models of Alzheimer's disease or other neurodegenerative disorders. Typical dosing regimens may range from 1 to 50 mg/kg. Levels of pyroglutamate-modified peptides in the brain and cerebrospinal fluid are measured as pharmacodynamic markers. Cognitive function and disease progression are also assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Glutaminyl Cyclase Inhibitor 1 are not extensively detailed in the provided references. As a small molecule with a molecular weight of 369.43, it may have reasonable oral bioavailability and tissue distribution, including brain penetration. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies. The compound's metabolism and excretion pathways remain to be fully characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for Glutaminyl Cyclase Inhibitor 1 are limited, as it is primarily a research tool. As a QC inhibitor, its toxicity would depend on the importance of QC for normal peptide processing and function. Comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and cardiotoxicity assessments would be needed for further development. Appropriate safety precautions should be taken when handling this compound.
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| References | |
| Additional Infomation |
Glutaminyl Cyclase Inhibitor 1 is a research compound used to study QC biology and develop therapies for neurodegenerative disorders. 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 QC inhibitor with an IC₅0 of 0.5 microM and can be utilized for studying neurological disorders.
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| Molecular Formula |
C21H24FN3O2
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|---|---|
| Molecular Weight |
369.43256855011
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| Exact Mass |
369.185
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| CAS # |
2110449-60-8
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| PubChem CID |
134691747
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| Appearance |
White to yellow solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
27
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| Complexity |
442
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C=CC=C(C2C=CC(=C(C=2)OC)OC)C=1NCCCN1C=NC(C)=C1
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| InChi Key |
QBJVKQMFLLMSJR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H24FN3O2/c1-15-13-25(14-24-15)11-5-10-23-21-17(6-4-7-18(21)22)16-8-9-19(26-2)20(12-16)27-3/h4,6-9,12-14,23H,5,10-11H2,1-3H3
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| Chemical Name |
2-(3,4-dimethoxyphenyl)-6-fluoro-N-[3-(4-methylimidazol-1-yl)propyl]aniline
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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 |
| 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) |
Ethanol : ~100 mg/mL (~270.69 mM)
DMSO : ~83.33 mg/mL (~225.56 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.63 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 20.8 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: ≥ 2.08 mg/mL (5.63 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 20.8 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: ≥ 2.08 mg/mL (5.63 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 | 2.7069 mL | 13.5344 mL | 27.0687 mL | |
| 5 mM | 0.5414 mL | 2.7069 mL | 5.4137 mL | |
| 10 mM | 0.2707 mL | 1.3534 mL | 2.7069 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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