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| Targets |
Qc1's primary target is threonine dehydrogenase (TDH). It acts as a reversible, non-competitive inhibitor of this enzyme, blocking the catabolism of threonine into acetyl-CoA and glycine.
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| ln Vitro |
ES cells treated with Qc1 (10 μM) for 2 to 24 hours revealed that a considerable amount of the total LC3 protein was in the cytoplasmic (LC3-I) form. The majority of LC3 was changed to LC3-II (lipid-modified) form following 16 hours of TDH inhibition, suggesting elevated autophagy activity [2]. ..Tetrahydrofolate's charge is inhibited by Qc1. The catabolization of threonine to acetyl-CoA and glycine by threonine dehydrogenase is inhibited by Qc1[1][2].
In vitro, Qc1 inhibits threonine dehydrogenase with an IC50 of approximately 500 nM. It induces autophagy and inhibits cell proliferation in mouse embryonic stem (ES) cells. |
| ln Vivo |
Specific in vivo activity data for Qc1 is not detailed in the provided search results. As a research tool for studying metabolism, its primary application is in in vitro and cell-based assays.
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| Enzyme Assay |
The in vitro activity of Qc1 is assessed using cell-free TDH enzyme activity assays. Threonine dehydrogenase is incubated with its substrate (threonine) and cofactor (NAD+) in the presence of varying concentrations of Qc1. The production of acetyl-CoA and glycine is measured to determine the IC50.
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| Cell Assay |
For cellular assays, mouse embryonic stem cells or other cell lines are used. Cells are treated with various concentrations of Qc1, and the induction of autophagy and inhibition of cell proliferation are assessed.
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| Animal Protocol |
In vivo studies for Qc1 are not described in the provided search results. As a research compound, its effects are primarily studied in cellular models to investigate the role of threonine metabolism in various biological processes.
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| ADME/Pharmacokinetics |
Qc1 has a molecular weight of 455.45 g/mol and a molecular formula of C23H16F3N3O2S. It is soluble in DMSO at 5 mg/mL with warming. It should be stored at -20°C.
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| Toxicity/Toxicokinetics |
Specific toxicity data for Qc1 is not available in the provided search results. As a research chemical, standard laboratory safety precautions should be followed when handling the compound.
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| References |
[1]. Wang J, et al. Metabolic specialization of mouse embryonic stem cells. Cold Spring Harb Symp Quant Biol. 2011;76:183-193.
[2]. Alexander PB, et al. Targeted killing of a mammalian cell based upon its specialized metabolic state. Proc Natl Acad Sci U S A. 2011;108(38):15828-15833. |
| Additional Infomation |
Qc1 is a research compound used to study threonine metabolism and its role in cell proliferation and autophagy. It is a valuable tool for investigating the metabolic vulnerabilities of cells that rely on the TDH pathway. It is not approved for clinical use.
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| Molecular Formula |
C23H16F3N3O2S
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|---|---|
| Molecular Weight |
455.45
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| Exact Mass |
455.091
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| CAS # |
403718-45-6
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| PubChem CID |
5000754
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.5±0.1 g/cm3
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| Index of Refraction |
1.682
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| LogP |
4.34
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
726
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(CNC(C2C=C[C@@H]3C(N(C4C=CC=C(C(F)(F)F)C=4)C(N=C3C=2)=S)=O)=O)C=C1
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| InChi Key |
IFNVTSPDMUUAFY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H16F3N3O2S/c24-23(25,26)16-7-4-8-17(12-16)29-21(31)18-10-9-15(11-19(18)28-22(29)32)20(30)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,27,30)(H,28,32)
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| Chemical Name |
N-benzyl-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide
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| Synonyms |
Qc 1 Qc-1 Qc1
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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) |
DMSO : ~62.5 mg/mL (~137.23 mM)
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| 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 | 2.1956 mL | 10.9782 mL | 21.9563 mL | |
| 5 mM | 0.4391 mL | 2.1956 mL | 4.3913 mL | |
| 10 mM | 0.2196 mL | 1.0978 mL | 2.1956 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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