| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C17H12ClNO2 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Naphthol AS-E is a potent, cell-permeable inhibitor of the KIX-KID interaction. It binds directly to the KIX domain of CBP, with a Kd of 8.6 μM, and blocks the interaction between the KIX domain and the KID domain of CREB, with an IC50 of 2.26 μM. It can be used in cancer research. It is supplied as a light brown to brown solid (C17H12ClNO2, MW 297.74) at 98.0% purity.
Physical & Chemical Properties
| CAS Number | 92-78-4 |
|---|---|
| Molecular Formula | C17H12ClNO2 |
| Molecular Weight | 297.74 g/mol |
| Purity | 98.0% |
| Appearance | Solid |
| Color | Light brown to brown |
| SMILES | O=C(C1=C(O)C=C2C=CC=CC2=C1)NC3=CC=C(Cl)C=C3 |
| Target | KIX-KID |
| Signaling Pathway | Epigenetics |
| Solubility | In Vitro: DMSO: 41.67 mg/mL (139.95 mM; Requires sonication; 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]
|
KIX-KID 2.26 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 | 41.67 mg/mL (139.95 mM) | requires sonication; 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 | 2.5 mg/mL (8.40 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 2.5 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (25.0 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% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (8.40 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
CREB (cyclic AMP-response element-binding protein) acts as a transcription factor downstream of numerous signaling pathways that originate from receptor tyrosine kinases or G-protein coupled receptors. Activation of CREB requires phosphorylation at Ser133 followed by binding to CREB-binding protein (CBP); this binding runs through the kinase-inducible domain (KID) of CREB and the KID-interacting (KIX) domain of CBP. Naphthol AS-E suppresses CREB-mediated gene transcription, with an IC50 of 2.29 μM, in a cell-based CREB Renilla luciferase reporter assay. In a HEK293T-based complementation assay, Renilla luciferase activity was inhibited dose-dependently by Naphthol AS-E, with an IC50 of 2.9 μM, through direct binding to the KIX domain of CBP (Kd ~8.6 μM using a recombinant KIX). Proliferation of all these cancer cells is inhibited by Naphthol AS-E at low μM activity, consistent with its potency against cellular CREB. For A549, MCF-7, MDA-MB-231 and MDA-MB-468, the average GI50 values are approximately 2.9μM, 2.81μM, 2.35μM and 1.46μM, respectively. Expression of the anti-apoptotic protein Bcl-2 is decreased by Naphthol AS-E (2.5 μM-10 μM; 48 hours), and VEGF expression is decreased as well.
Data provided by the manufacturer.
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