| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Targets |
PK-14105 targets peripheral-type benzodiazepine binding sites (PBBS), which are now known as translocator protein (TSPO). TSPO is a mitochondrial membrane protein involved in cholesterol transport, steroidogenesis, and neuroinflammation. It is upregulated in activated microglia and is a marker of neuroinflammation. PK-14105 binds to TSPO with high affinity, with a Ki of 4 nM. This makes it a potential radioligand for imaging neuroinflammation in neurological and psychiatric disorders.
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| ln Vitro |
PK-14105 demonstrates high-affinity binding to peripheral-type benzodiazepine binding sites (TSPO) with a Ki of 4 nM. Its binding affinity and selectivity for TSPO over central benzodiazepine receptors have been characterized in radioligand binding assays. The compound's ability to bind to TSPO in vitro has been confirmed in membrane preparations from various tissues. Its potential as a PET radioligand has been evaluated based on its binding properties.
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| ln Vivo |
PK-14105 has been evaluated in vivo as a potential radioligand for PET studies. In vivo binding experiments, in which PK-14105 was injected into rats with unilaterally lesioned striata, demonstrate that PK-14105 binds to TSPO in areas of neuronal damage. This suggests its potential utility for imaging neuroinflammation and neuronal injury in vivo. The compound's ability to cross the blood-brain barrier and specifically bind to TSPO has been demonstrated.
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| Enzyme Assay |
TSPO binding assays are performed using membranes prepared from tissues rich in TSPO, such as kidney, adrenal gland, or from cells expressing recombinant TSPO. Radioligand binding studies use [3H]-PK-11195 or [3H]-Ro5-4864 as labeled ligands. Membrane preparations are incubated with varying concentrations of PK-14105 and a fixed concentration of radioligand in binding buffer for 60-120 minutes. Non-specific binding is determined using excess unlabeled ligand (e.g., PK-11195). Bound radioactivity is measured by scintillation counting after filtration. IC50 and Ki values are calculated by non-linear regression.
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| Cell Assay |
Cellular TSPO binding is evaluated in cell lines expressing TSPO, such as macrophages, microglia, or transfected cells (e.g., CHO cells expressing human TSPO). Cells are cultured in appropriate media and treated with PK-14105 at various concentrations. Binding is assessed using [3H]-PK-11195 as a tracer. Specific binding is calculated by subtracting non-specific binding (in the presence of excess unlabeled PK-11195). For PET radioligand development, additional studies assess cellular uptake and efflux. Each experiment includes appropriate controls.
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| Animal Protocol |
In vivo studies are conducted in rodent models of neuroinflammation or neuronal injury. PK-14105 is administered intravenously or intraperitoneally. For PET imaging studies, the compound may be radiolabeled with 11C or 18F. In vivo binding is assessed by PET imaging or by ex vivo autoradiography. Tissues are collected for biodistribution studies and to measure radioactivity levels. For lesion models, unilateral striatal lesions are induced by injection of neurotoxins (e.g., quinolinic acid). Sample sizes typically range from 6-10 animals per group.
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| ADME/Pharmacokinetics |
PK-14105 has a molecular weight of 381.40 g/mol and a molecular formula of C21H20FN3O3. Solubility: DMSO: ≥30 mg/mL. Storage: powder at -20°C for up to 3 years. As a potential PET radioligand, its pharmacokinetic properties are important for imaging applications. Biodistribution, blood-brain barrier penetration, and clearance have been evaluated in preclinical studies. Its half-life and metabolic stability are key parameters for PET imaging.
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| Toxicity/Toxicokinetics |
Limited toxicology data are available for PK-14105 as it is a research radioligand rather than a therapeutic agent. At the microdose levels used for PET imaging, toxicity is minimal. Standard toxicology studies would include acute toxicity and genotoxicity screening. The compound is intended for research use only and has not undergone full preclinical safety evaluation for therapeutic development.
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| Additional Infomation |
PK-14105 is also known as PK14105 and PK 14105. Its chemical name is an isoquinoline derivative. It is a high-affinity ligand for peripheral-type benzodiazepine binding sites (TSPO) with a Ki of 4 nM. It has been evaluated as a potential radioligand for PET studies of neuroinflammation and neuronal damage. No clinical trials or regulatory approvals have been reported. The compound is for research use only.
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| Molecular Formula |
C21H20FN3O3
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|---|---|
| Molecular Weight |
381.4
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| Exact Mass |
381.149
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| CAS # |
107257-28-3
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| PubChem CID |
122277
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| Appearance |
White to off-white solid powder
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| Density |
1.257g/cm3
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| Boiling Point |
555.7ºC at 760mmHg
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| Flash Point |
289.9ºC
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| Vapour Pressure |
2.18E-12mmHg at 25°C
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| Index of Refraction |
1.612
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| LogP |
5.342
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
570
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C([H])=C([H])C(=C([H])C=1C1C2=C([H])C([H])=C([H])C([H])=C2C([H])=C(C(N(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=O)N=1)[N+](=O)[O-]
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| InChi Key |
GXXKDYZSBGOJQN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H20FN3O3/c1-4-13(2)24(3)21(26)19-11-14-7-5-6-8-16(14)20(23-19)17-12-15(25(27)28)9-10-18(17)22/h5-13H,4H2,1-3H3
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| Chemical Name |
N-butan-2-yl-1-(2-fluoro-5-nitrophenyl)-N-methylisoquinoline-3-carboxamide
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| Synonyms |
PK14105; PK 14105; PK-14105
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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 : ≥ 30 mg/mL (~78.66 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 | 2.6219 mL | 13.1096 mL | 26.2192 mL | |
| 5 mM | 0.5244 mL | 2.6219 mL | 5.2438 mL | |
| 10 mM | 0.2622 mL | 1.3110 mL | 2.6219 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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