| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C17H16ClN3O |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
AT13148 is an orally active, ATP-competitive, multi-AGC kinase inhibitor with IC50 values of 38 nM, 402 nM and 50 nM for Akt1, Akt2 and Akt3, respectively, 8 nM for p70S6K, 3 nM for PKA, and 6 nM and 4 nM for ROCKI and ROCKII, respectively. It is supplied as a white to off-white solid (C17H16ClN3O, MW 313.78) at 99.20% purity.
Physical & Chemical Properties
| CAS Number | 1056901-62-2 |
|---|---|
| Molecular Formula | C17H16ClN3O |
| Molecular Weight | 313.78 g/mol |
| Purity | 99.20% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | ClC1=CC=C([C@](C2=CC=C(C3=CNN=C3)C=C2)(O)CN)C=C1 |
| Target | Akt1, p70S6K, Akt3, Akt2, PKA, ROCKII, ROCKI, SGK3, RSK1, CHK2, Aurora B |
| Signaling Pathway | PI3K/Akt/mTOR; TGF-beta/Smad; Stem Cell/Wnt; Cell Cycle/DNA Damage; Cytoskeleton; MAPK/ERK Pathway |
| Solubility | In Vitro: DMSO: 50 mg/mL (159.35 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]
|
Akt1 38 nM (IC50) |
p70S6K 8 nM (IC50) |
Akt3 50 nM (IC50) |
Akt2 402 nM (IC50) |
PKA 3 nM (IC50) |
ROCKII 4 nM (IC50) |
ROCKI 6 nM (IC50) |
SGK3 63 nM (IC50) |
RSK1 85 nM (IC50) |
CHK2 860 nM (IC50) |
Aurora B 1840 nM (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 | 50 mg/mL (159.35 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 (7.97 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). 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% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (7.97 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 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). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (7.97 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
AT13148 inhibits a panel of kinases at 10 μM; IC50 values are all below 10 nM for p70S6K, PKA, ROCKI, and ROCKII, and 38, 402, and 50 nM for AKT1, 2, and 3, respectively. For the related AGC kinases RSK1 and SGK3, IC50 values are 85 and 63 nM, respectively. Conversely, the non-AGC kinases CHK2 and Aurora B have IC50 values that both exceed 800 nM. AT13148 potently inhibits proliferation across a selected panel of cancer cell lines, with GI50 values of 1.5 to 3.8 μM[1]. In gastric cancer cells, AT13148 treatment strongly suppresses activation of several AGC kinases, such as Akt (at p-Thr-308), p70S6 kinase (p70S6K), glycogen synthase kinase 3β (GSK-3β), and p90 ribosomal S6 kinase (RSK)[2].
In Vivo
Oral dosing of AT13148 at 5 mg/kg gives complete bioavailability. Phosphorylation of the AKT substrates GSK3β, tuberin, and the p70S6K target S6RP is also clearly inhibited in PTEN-deficient MES-SA human uterine tumor xenografts following 40 and 50 mg/kg p.o. of AT13148[1]. In nude mice, oral gavage of AT13148 at well-tolerated doses significantly inhibits growth of HGC27 xenograft tumors. AGC activity is likewise dramatically decreased in HGC27 tumors from AT13148-treated animals[2].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
Kinase Assay[1]
Assay AT13148 against 40 kinases and determine the percentage inhibition at 10 μM of AT13148. Measure individual IC50 values for selected kinases with ATP at concentrations equal to the Km of each enzyme.
Animal Administration[1]
For pharmacokinetic analysis, obtain male athymic BALB/c mice from Harlan. Formulate AT13148 in 10% DMSO, 1% Tween-20, and 89% saline and administer at 5 mg/kg i.v. or p.o. Take duplicate heparinized whole blood samples at 1, 2, 4, 6, 8, 16, 24 and 72 hours after dosing, by cardiac puncture. Prepare plasma and tissues (liver, kidney, spleen, and muscle are also collected) and freeze them at −20°C until analysis. Extract AT13148 from plasma and tissues with acetonitrile containing an internal standard and quantify by liquid chromatography tandem mass spectrometry (LC-MS/MS) with appropriate standard curves. Determine pharmacokinetic parameters using WinNonLin software version 5.2.
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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Belumosudil with ROCK-2 inhibition: chemical and therapeutic development to FDA approval for the treatment of chronic graft-versus-host disease. Curr Res Transl Med 2022 Jul;70(3):103343. PMID: 35339032
Methods for High-throughput Drug Combination Screening and Synergy Scoring. Methods Mol Biol 2018:1711:351-398. PMID: 29344898
