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| Targets |
The primary targets are Protein Kinase N1 (PKN1) and Protein Kinase N2 (PKN2). It has a 14-fold higher selectivity for PKN2 (IC50 = 16 nM; Ki = 8 nM) over PKN1 (IC50 = 210 nM; Ki = 108 nM). This selectivity allows researchers to dissect the specific functions of the PKN1/2 isoforms in cellular processes.
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| ln Vitro |
PKN1/2-IN-1 is a potent and selective PKN2 inhibitor with IC50 of 16 nM and Ki of 8 nM. In NanoBRET assays, it shows intracellular PKN2 binding with an IC50 of 2.1 uM. PKN proteins are critical for survival in several tumor cell lines including prostate and breast cancer, and this compound helps study that dependency.
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| ln Vivo |
No specific in vivo activity data is available for this compound. However, due to its anticancer potential, it is likely evaluated in xenograft models of prostate or breast cancer to assess tumor growth inhibition and survival benefits. The membrane permeability and oral bioavailability predictions make it a candidate for such studies.
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| Enzyme Assay |
For a cell-free biochemical assay, recombinant PKN1/2 enzymes (0.1-0.5 nM) are incubated with various concentrations of PKN1/2-IN-1 (0-500 nM) in a reaction buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35) and 10 uM ATP. After 30-60 min at 30degC, the reaction is quenched and ADP production is measured using a kinase-Glo or ADP-Glo kit. IC50 values are calculated.
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| Cell Assay |
For intracellular target engagement studies, cells (e.g., HEK-293T) are seeded and treated with PKN1/2-IN-1 (0.1-10 uM) for 1-4 hours. After lysis, the NanoBRET assay is performed using a PKN2-NanoLuc fusion construct and a fluorescent tracer. The BRET signal is measured to determine the intracellular binding affinity (IC50 = 2.1 uM). Cell viability can be assessed via CellTiter-Glo after 72h of treatment.
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| Animal Protocol |
A typical protocol for in vivo efficacy involves establishing subcutaneous xenografts of prostate cancer (e.g., PC-3) or breast cancer (e.g., MDA-MB-231) cells in immunocompromised mice. Once tumors reach ~150 mm3, mice are randomized and treated daily with PKN1/2-IN-1 at doses of 10-50 mg/kg via IP or IV injection. Tumor size and body weight are measured biweekly. At endpoint, tumors are harvested for Western blot analysis of PKN2 targets and markers of apoptosis (e.g., cleaved PARP).
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| ADME/Pharmacokinetics |
With a molecular weight of 241.29 and a formula of C14H15N3O, the compound is cell-permeable and membrane permeable. It is stable for up to 3 years as a powder at -20degC and for 1 year in solvent at -80degC. Its solubility in common vehicles like DMSO facilitates both in vitro (1-10 mM stock) and in vivo (5-10% DMSO in PBS) applications.
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| Toxicity/Toxicokinetics |
As a research chemical, specific toxicological data is limited. Standard laboratory safety precautions should be followed. It is not intended for diagnostic or therapeutic use. Users should consult the Safety Data Sheet (SDS) for detailed handling and hazard information. Eye and skin protection are recommended when handling the powder.
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| Additional Infomation |
PKN1/2-IN-1 is classified as a kinase inhibitor with anticancer potential. It is a valuable tool for studying the PKN family in oncology research, particularly for prostate and breast cancer. It is for research use only and is not an approved drug. The compound is also useful for studying cell migration, as PKNs regulate cytoskeletal dynamics.
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| Molecular Formula |
C14H15N3O
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| Molecular Weight |
241.288402795792
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| Exact Mass |
241.121
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| CAS # |
942425-34-5
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| PubChem CID |
23585102
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| Appearance |
Light yellow to light brown solid powder
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| LogP |
0.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
18
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| Complexity |
314
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCN1C2=C(C=C1C3=CC=NC=C3)C(=O)NCC2
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| InChi Key |
RVODROMIHSQWCT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H15N3O/c1-2-17-12-5-8-16-14(18)11(12)9-13(17)10-3-6-15-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,18)
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| Chemical Name |
1-ethyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
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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 : ~35.71 mg/mL (~148.00 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 | 4.1444 mL | 20.7220 mL | 41.4439 mL | |
| 5 mM | 0.8289 mL | 4.1444 mL | 8.2888 mL | |
| 10 mM | 0.4144 mL | 2.0722 mL | 4.1444 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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