| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg | |||
| Other Sizes |
| Targets |
IC50: 6.9 nM (PIKfyve)[1]
PIKfyve-IN-1 targets PIKfyve (phosphatidylinositol-3-phosphate 5-kinase), an enzyme involved in membrane trafficking, endocytosis, and autophagy. By inhibiting PIKfyve with an IC50 of 6.9 nM (and 4.01 nM in NanoBRET assays), it disrupts these cellular processes, with potential applications in virology, neurodegenerative disorders, and cancer. |
|---|---|
| ln Vitro |
PIKfyve-IN-1 (0-10 μM) disturbs various aspects of the coronavirus lifecycle, including viral multiplication and entrance. PIKfyve-IN-1 inhibits PIKfyve in the PIKfyve enzymatic test and the PIKfyve NanoBRET assay, with IC50 values of 6.9 nM and 4.01 nM, respectively[1]. The replication of SARS-CoV-2 and MHV is inhibited by PIKfyve-IN-1, with IC50 values of 19.5 nM and 23.5 nM, respectively[1]. The balance of lysosomes is affected by PIKfyve-IN-1 (5 μM)[1].
PIKfyve-IN-1 (0-10 microM) disturbs various aspects of the coronavirus lifecycle, including viral multiplication and entry. It inhibits SARS-CoV-2 and MHV replication with IC50 values of 19.5 nM and 23.5 nM, respectively. PIKfyve-IN-1 (5 microM) affects lysosome balance. In the PIKfyve NanoBRET assay, it shows an IC50 of 4.01 nM. |
| ln Vivo |
No in vivo data is reported for PIKfyve-IN-1. Based on its potent in vitro activity against PIKfyve and antiviral effects in cell-based assays, it is anticipated to show efficacy in animal models of viral infection or diseases involving membrane trafficking dysfunction.
|
| Enzyme Assay |
A biochemical PIKfyve inhibition assay is performed using purified recombinant PIKfyve enzyme. Increasing concentrations of PIKfyve-IN-1 (0.1 nM to 10 uM) are incubated with the enzyme, ATP, and a phosphatidylinositol-3-phosphate (PI(3)P) substrate. The reaction is stopped, and the amount of phosphatidylinositol-3,5-bisphosphate (PI(3,5)P2) produced is measured via mass spectrometry or a fluorescence-based detection system to calculate the 6.9 nM IC50.
|
| Cell Assay |
Immunofluorescence[1]
Cell Types: Calu-3 cells Tested Concentrations: 1 μM Incubation Duration: 1 h Experimental Results: Inhibited the uptake of lentivirus pseudotyped with the SARS-CoV-2 spike glycoprotein. For cell-based assays, Calu-3 cells (lung epithelial cells) are seeded and treated with PIKfyve-IN-1 (1 microM) for 1 hour. Immunofluorescence is used to visualize inhibition of lentivirus uptake pseudotyped with SARS-CoV-2 spike glycoprotein. For antiviral assays, cells infected with SARS-CoV-2 or MHV are treated with PIKfyve-IN-1 (0-10 microM), and viral replication is quantified via qRT-PCR or plaque assay to determine IC50 values (19.5 nM for SARS-CoV-2, 23.5 nM for MHV). |
| Animal Protocol |
No in vivo animal experiment data is available for this compound.
|
| ADME/Pharmacokinetics |
No pharmacokinetic data is reported for PIKfyve-IN-1, as it is currently a chemical probe for in vitro and cell-based research.
|
| Toxicity/Toxicokinetics |
No specific toxicology data is reported for PIKfyve-IN-1. As a research chemical probe for PIKfyve, detailed toxicological profiling has not been performed.
|
| References | |
| Additional Infomation |
PIKfyve-IN-1 (CAS: 2857982-26-2) is a highly potent and cell-active chemical probe that inhibits PIKfyve with an IC50 of 6.9 nM (4.01 nM in NanoBRET assays). It disrupts SARS-CoV-2 replication (IC50 = 19.5 nM) and MHV replication (IC50 = 23.5 nM). The compound contains an Alkyne group and is a click chemistry reagent for CuAAc reactions, with molecular formula C20H21N5 and molecular weight 331.41.
|
| Molecular Formula |
C20H21N5
|
|---|---|
| Molecular Weight |
331.41
|
| Exact Mass |
331.18
|
| CAS # |
2857982-26-2
|
| PubChem CID |
165368936
|
| Appearance |
Off-white to yellow solid powder
|
| Density |
1.31±0.1 g/cm3(Predicted)
|
| Boiling Point |
636.7±65.0 °C(Predicted)
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
25
|
| Complexity |
535
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CN(C)CC#CC1=CC2=C(C=C1)NC3=C2C4=NC(=NC=C4CCC3)N
|
| InChi Key |
DORZPJWJOBMQKC-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H21N5/c1-25(2)10-4-5-13-8-9-16-15(11-13)18-17(23-16)7-3-6-14-12-22-20(21)24-19(14)18/h8-9,11-12,23H,3,6-7,10H2,1-2H3,(H2,21,22,24)
|
| Chemical Name |
16-[3-(dimethylamino)prop-1-ynyl]-3,5,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13(18),14,16-heptaen-4-amine
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~301.7 mM; with ultrasonication and warming by heating to 80°C)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.54 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.54 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: 2.5 mg/mL (7.54 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0174 mL | 15.0871 mL | 30.1741 mL | |
| 5 mM | 0.6035 mL | 3.0174 mL | 6.0348 mL | |
| 10 mM | 0.3017 mL | 1.5087 mL | 3.0174 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
