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Akt Inhibitor 17 (Akti2008) is a novel and potent allosteric inhibitor of Akt1 (IC50=3.5 nM) and Akt2 (IC50=42 nM) with anticancer activity.
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| ln Vitro |
In line with the allosteric method of inhibition, Akt1/Akt2-IN-1 (Compound 17) exhibits PH-domain dependence for Akt inhibition, a high degree of selectivity (>50 μM vs. PKA, PKC, SGK) for Akt1/2 over Akt3 (IC50=1900 nM), and a dependence on the PH-domain for Akt inhibition. Human P-glycoprotein is a substrate of Akt1/Akt2-IN-1, which exhibits modest activity in a hERG binding experiment (IC50=5610 nM) [1].
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| ln Vivo |
Compound 17, Akt1/Akt2-IN-1, exhibits good tolerance at doses that result in significant in vivo inhibition of Akt1 and 2. When taken as monotherapy, Akt1/Akt2-IN-1 has also been demonstrated to reduce the growth of A2780 tumors in vivo. Akt1/Akt2-IN-1 is effective in a tumor xenograft model and exhibits strong inhibitory activity against Akt1 and 2 in vivo in a mouse lung. With a half-life of 3.8 hours and a low clearance of 4.6 mL/min/kg, Akt1/Akt2-IN-1 has excellent pharmacokinetics in rats. Since Akt1/Akt2-IN-1 has better cell potency, physical characteristics, and rodent pharmacokinetics, mice are used to evaluate tolerance and Akt inhibition. Administering Akt1/Akt2-IN-1 to mice on an acute dosing schedule (IP dosing of 50 mg/kg at times 0, 3, and 8 h) results in high levels of Akt inhibition in the mouse lung[1]. The mice also respond well to this treatment.
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| References |
| Molecular Formula |
C33H29N7O
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|---|---|
| Molecular Weight |
539.64
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| Exact Mass |
539.243
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| CAS # |
893422-47-4
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| PubChem CID |
11656753
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.666
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| LogP |
3.59
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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 |
6
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| Heavy Atom Count |
41
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| Complexity |
892
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2C(=NC(=C(C3C=CC=CC=3)C=2)C2C=CC(CN3CCC(C4NC(C5C=CC=CN=5)=NN=4)CC3)=CC=2)C=CN1
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| InChi Key |
BTUWHHFNOHVCMQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C33H29N7O/c41-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)13-17-35-33)24-11-9-22(10-12-24)21-40-18-14-25(15-19-40)31-37-32(39-38-31)29-8-4-5-16-34-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,35,41)(H,37,38,39)
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| Chemical Name |
3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
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| Synonyms |
Akt Inhibitor 17 Akti 2008 Akti_2008
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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 : ≥ 35 mg/mL (~64.86 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 | 1.8531 mL | 9.2654 mL | 18.5309 mL | |
| 5 mM | 0.3706 mL | 1.8531 mL | 3.7062 mL | |
| 10 mM | 0.1853 mL | 0.9265 mL | 1.8531 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT03733119 | TERMINATEDWITH RESULTS | Drug: Akt/ERK Inhibitor ONC201 Dietary Supplement: Methionine-Restricted Diet |
Triple Negative Breast Cancer | University of Wisconsin, Madison | 2018-11-13 | Phase 2 |
| NCT01240941 | WITHDRAWN | Drug: MK-2206 Drug: Exemestane Drug: Goserelin |
Metastatic Breast Cancer | Vanderbilt-Ingram Cancer Center | 2011-02 | Phase 2 |
| NCT01705340 | TERMINATED | Drug: Akt inhibitor MK2206 Biological: trastuzumab Drug: lapatinib ditosylate Other: laboratory biomarker analysis |
Adenocarcinoma of the Gastroesophageal Junction HER2-positive Breast Cancer Male Breast Cancer Recurrent Breast Cancer |
National Cancer Institute (NCI) | 2012-09 | Phase 1 |
| NCT01776008 | TERMINATEDWITH RESULTS | Drug: Akt Inhibitor MK2206 Drug: Anastrozole Drug: Goserelin Acetate |
Estrogen Receptor Positive HER2/Neu Negative Recurrent Breast Carcinoma Stage IIA Breast Cancer |
National Cancer Institute (NCI) | 2013-01 | Phase 2 |
| NCT04690725 | UNKNOWN STATUS | Drug: TQB3525 | Efficacy, Self Safety Issues |
Peking University People's Hospital | 2020-10-01 | Phase 1 Phase 2 |
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