| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Targets |
AT-001 targets aldose reductase, an enzyme involved in the polyol pathway. It is a highly potent inhibitor with an IC50 of 28.9 pM. It can target the relaxin hormone signaling pathway in prostate cancer models. By inhibiting aldose reductase, it may reduce the accumulation of sorbitol and prevent diabetic complications.
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| ln Vitro |
In vitro, AT-001 is a highly potent aldose reductase inhibitor with an IC50 value of 28.9 pM. It can target the relaxin hormone signaling pathway in prostate cancer models. Its potent inhibitory activity has been characterized in biochemical assays.
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| ln Vivo |
In vivo, AT-001 is an orally active aldose reductase inhibitor. It can be used in the study of diabetic cardiomyopathy. It may slow growth of androgen-independent human prostate tumor xenografts. It is under investigation in clinical trial NCT03062384 for long-term preservation of brain health in aging.
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| Enzyme Assay |
The in vitro enzymatic activity of AT-001 is assessed using cell-free aldose reductase enzyme assays. Recombinant or purified aldose reductase is incubated with its substrate, glucose, and cofactor NADPH in the presence of varying concentrations of the inhibitor. The conversion of glucose to sorbitol is measured using spectrophotometric or chromatographic methods. The IC50 value of 28.9 pM is determined from dose-response curves.
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| Cell Assay |
To evaluate the cellular effects of AT-001, cells are treated with the compound. The inhibition of aldose reductase activity and sorbitol accumulation is measured. The effects on cell viability and signaling pathways, including the relaxin hormone pathway, are assessed.
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| Animal Protocol |
In vivo studies with AT-001 typically involve oral administration to animal models. In models of diabetic cardiomyopathy, the compound's effects on cardiac function and diabetic complications are assessed. In prostate cancer models, its effects on tumor growth are evaluated.
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| ADME/Pharmacokinetics |
AT-001 has a molecular formula of C17H10F3N5O3S and a molecular weight of 421.35 g/mol. Its CAS number is 1355612-71-3. It is an orally active aldose reductase inhibitor. The purity is typically ≥99%. It should be stored according to the manufacturer's instructions.
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| Toxicity/Toxicokinetics |
Specific toxicology data for AT-001 are not extensively detailed in the available literature. However, its use in animal models and clinical trials suggests a degree of safety. As with all research compounds, standard safety precautions should be taken when handling AT-001.
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| References | |
| Additional Infomation |
AT-001 is being studied in the clinical trial NCT03062384 (AT-001 for long-term brain health maintenance in older adults).
AT-001 (Caficrestat, Aldose reductase-IN-1) is a highly potent aldose reductase inhibitor with an IC50 of 28.9 pM. It is orally active and can be used in the study of diabetic cardiomyopathy. It can target the relaxin hormone signaling pathway in prostate cancer models. It is under investigation in clinical trials. |
| Molecular Formula |
C17H10F3N5O3S
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|---|---|
| Molecular Weight |
421.3532
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| Exact Mass |
421.045
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| CAS # |
1355612-71-3
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| PubChem CID |
56639723
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| Appearance |
White to off-white solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
632.1±65.0 °C at 760 mmHg
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| Flash Point |
336.1±34.3 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
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| Index of Refraction |
1.737
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| LogP |
0.52
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
706
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
YRGPAXAVTDMKDK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)
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| Chemical Name |
2-[5-oxo-6-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyrazino[2,3-d]pyridazin-8-yl]acetic acid
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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 : ≥ 28 mg/mL (~66.45 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.93 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 (5.93 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 (5.93 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 | 2.3733 mL | 11.8666 mL | 23.7332 mL | |
| 5 mM | 0.4747 mL | 2.3733 mL | 4.7466 mL | |
| 10 mM | 0.2373 mL | 1.1867 mL | 2.3733 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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