| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C19H13NO4 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
NQDI-1 inhibits apoptosis signal-regulating kinase 1 (ASK1) with a Ki of 500 nM and an IC50 of 3 μM. It is supplied as a yellow to orange solid (C19H13NO4, MW 319.31) at 98.11% purity.
Physical & Chemical Properties
| CAS Number | 175026-96-7 |
|---|---|
| Molecular Formula | C19H13NO4 |
| Molecular Weight | 319.31 g/mol |
| Purity | 98.11% |
| Appearance | Solid |
| Color | Yellow to orange |
| SMILES | O=C(C1=C2C3=C(NC1=O)C=CC=C3C(C4=C2C=CC=C4)=O)OCC |
| Target | ASK1 |
| Signaling Pathway | MAPK/ERK Pathway; Apoptosis |
| Solubility | In Vitro: DMSO: 10 mg/mL (31.32 mM; Requires sonication and warming; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 2 years; -20°C, 1 year. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
ASK1 500 nM (Ki) |
ASK1 3 μM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 10 mg/mL (31.32 mM) | requires sonication and warming; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 2 years) or -20°C (up to 1 year); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | 0.71 mg/mL (2.22 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 0.71 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (7.1 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | 0.71 mg/mL (2.22 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 0.71 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (7.1 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Data provided by the manufacturer.
In Vitro
In vitro, the selectivity of NQDI-1 is assessed against four serine/threonine protein kinases, CK2 (protein kinase CK2), JNK3 (c-Jun N-terminal kinase 3), Rock1 (Rho-associated protein kinase 1), and Aurora A, plus three tyrosine protein kinases, FGFR1, hHGFR, and Tie2 (endothelial TEK tyrosine kinase). NQDI-1 emerges from these results as a selective inhibitor of ASK1. NQDI-1 inhibits the FGFR1 protein kinase, leaving a residual activity of 44%. ASK1 is inhibited by NQDI-1 with a Ki of 500 nM. The inhibition of ASK1 by NQDI-1 is competitive relative to the phosphodonor substrate ATP[1].
In Vivo
NQDI-1 (250 nmol in DMSO) is delivered by intracerebroventricular injection after brain insult. Western blotting measures ASK1 expression in the sham, Hypoxia-ischemia (HI), DMSO and NQDI-1 groups, showing that NQDI-1 markedly lowers ASK1 expression in the brain cortex relative to the HI and DMSO groups. Immunofluorescence staining likewise shows that NQDI-1 suppresses ASK1 expression in the brain cortex. Expression of downstream ASK1 targets is also examined in this study. NQDI-1 significantly reduces the levels of p-JNK, p-c-Jun, p53 and caspase 3, compared with the HI and DMSO groups. Immunofluorescence also reveals low p-JNK expression in the brain cortex of the NQDI-1-treated group[2].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
Kinase Assay[1]
Determine enzyme activity with the in vitro kinase assay (γ-32P-ATP method) for ASK1, Aurora A, ROCK1, HGFR, FGFR1, Tie2, JNK3, plus CK2 (human protein kinases). For each reaction mixture, combine 6 μL of buffer solution (25 mM MOPS, pH 7.2, 2.5 mM EGTA, 2.5 mM EDTA, 0.5 mM DTT, 0.25 mg/mL BSA, 20 mM β-glycerophosphate), together with 3 μL of 5.0 μg/μL substrate solution, using for the respective kinases MBP, Long S6 kinase substrate peptide, KKKSPGEYVNIEFG, IGF-IRtide (12-527), plus TK substrate 2, JNK3tide, and RRRDDDSDDD, 0.3 μL of enzyme (protein kinase catalytic subunit, 0.1 μg/μL≈32 mU/μL), and 10.25 μL of H2O. Quickly add the reaction mixture (total volume of 19 μL) to 1.5 mL tubes at room temperature. Prepare the stock solutions of inhibitors (e.g., NQDI-1) in DMSO at an inhibitor concentration of 1 mM, keeping the DMSO concentration in the reaction at no more than 3%. Add 1 μL of inhibitor solution in DMSO to each tube and mix by pipetting. Prepare ATP solution separately: take 0.05 mCi γ-[P32]ATP per sample (specific activity of 100 μCi/μM), with a total concentration of labeled and unlabeled ATP of 100 μM. Start the reaction by adding ATP solution (150 μM ATP, 30 mM MgCl2, 15 mM MOPS, pH 7.2) and incubate for 20 min at 30°C. Stop the reaction by adding 20 μL of 0.5 M orthophosphoric acid. Load the reaction mixture onto 20 mm filter disks of cellulose phosphate paper, wash the filters three times with 0.075 M orthophosphoric acid at room temperature, and dry them. To detect products, count the dried filters on a Tri-Carb 2800-TR liquid scintillation analyzer. For a positive control, replace the inhibitor stock solution with 1 μL of DMSO added to the reaction volume[1].
Animal Administration[2]
Rats[2] Use 12 female Sprague-Dawley rats with litters of mixed gender pups. Keep the mothers at 25°C on a 12-h light/dark cycle, giving food and water ad libitum, until the pups are 7-days-old. Establish the HI model. Anesthetize the pups with 2.5% halothane. Into the right cerebral hemisphere, infuse intracerebroventricularly either DMSO or 250 nmol NQDI-1 dissolved in DMSO, 30 min before HI, with a 5 μL Hamilton syringe fitted with a 30-gauge needle (infusion rate, 1 μL/min).
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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Dual function of peroxiredoxin I in lipopolysaccharide-induced osteoblast apoptosis via reactive oxygen species and the apoptosis signal-regulating kinase 1 signaling pathway. Cell Death Discov 2018 Apr 27:4:47. PMID: 29707240
Lycopene Alleviates Endoplasmic Reticulum Stress in Steatohepatitis through Inhibition of the ASK1-JNK Signaling Pathway. J Agric Food Chem 2024 Apr 10;72(14):7832-7844. PMID: 38544357
Microcystin-LR induces ovarian injury and apoptosis in mice via activating apoptosis signal-regulating kinase 1-mediated P38/JNK pathway. Ecotoxicol Environ Saf 2021 Apr 15:213:112066. PMID: 33610944
Berberine modulates ASK1 signaling mediated through TLR4/TRAF2 via upregulation of miR-23a. Toxicol Appl Pharmacol 2018 Nov 15:359:34-46. PMID: 30240693
Inhibition of thioredoxin 2 by intracellular methylglyoxal accumulation leads to mitochondrial dysfunction and apoptosis in INS-1 cells. Endocrine 2020 Apr;68(1):103-115.
NQDI-1 protects against acinar cell necrosis in three experimental mouse models of acute pancreatitis. Biochem Biophys Res Commun 2019 Nov 26;520(1):211-217.
