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| 5mg |
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| 10mg |
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| 25mg |
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Purity: ≥98%
PI4KIIIβ-IN-9 (PI4KIIIbeta-IN-9) is a novel, potent and selective PI4KIIIβ (Type III phosphatidylinositol 4-kinase) inhibitor with an IC50 of 7 nM with >1000-fold over class I and class III PI3Ks. PI4KIIIbeta-IN-9 inhibits PI3K and PI3K with respective IC50 values of 152 nM and 1046 nM. The enzyme type III phosphatidylinositol 4-kinase (PI4KIII), which is involved in a number of pathogenic processes, is crucial in mediating membrane trafficking. It is a crucial host factor that facilitates RNA virus replication. It will be crucial to define this enzyme's cellular functions through the design of potent and targeted inhibitors, which could result in brand-new antiviral therapeutics. Antiviral activity against the hepatitis C virus was demonstrated by PI4KIII-IN-9. The molecular foundation of specificity is revealed by the co-crystal structure of PI4KIII bound to one of PI4KIII-IN-9. This research will be essential for developing new PI4KIII inhibitors that could be highly effective antiviral
| Targets |
PI4KIIIβ ( IC50 = 7 nM ); PI4KIIIα ( IC50 = 2.6 μM ); PI3Kδ ( IC50 = 152 nM ); PI3Kγ ( IC50 = 1046 nM ); PI3Kα ( IC50 = 2 μM ); PI3KC2γ ( IC50 = 1 μM );
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|---|---|
| ln Vitro |
PI4KIIIbeta-IN-9 (Compound 9) exhibits weak inhibition of PI3KC2 (IC50 1 M), PI3K (2 M), and PI4KIII (2.6 M), and 50% inhibition of PI4K2, PI4K2, and PI3K at concentrations up to 20 M. The crescent-shaped PI4KIIIbeta-IN-9 (Compound 9) conforms to the active site of PI4KIII. This molecule interacts closely with PI4KIII[1].
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| References |
| Molecular Formula |
C23H25N3O5S2
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|---|---|
| Molecular Weight |
487.59
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| Exact Mass |
487.123
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| Elemental Analysis |
C, 56.66; H, 5.17; N, 8.62; O, 16.41; S, 13.15
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| CAS # |
1429624-84-9
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| PubChem CID |
71533728
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.659
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| LogP |
3.91
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
33
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| Complexity |
763
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(N=C1NC(C2CCCC2)=O)=C(S1)C3=CC=C(C(S(=O)(NC4=CC=C(O)C=C4)=O)=C3)OC
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| InChi Key |
KAXNDTMKFONXJM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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| Chemical Name |
N-(5-(3-(N-(4-hydroxyphenyl)sulfamoyl)-4-methoxyphenyl)-4-methylthiazol-2-yl)cyclopentanecarboxamide
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| Synonyms |
PI4KIIIβ-IN-9; PI4KIIIbeta-IN-9; PI4KIIIβ-IN 9; PI4KIIIbeta-IN 9; PI4KIIIβ-IN9; PI4KIIIbeta-IN9
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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 : ~100 mg/mL (~205.5 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.13 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (5.13 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.13 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0509 mL | 10.2545 mL | 20.5090 mL | |
| 5 mM | 0.4102 mL | 2.0509 mL | 4.1018 mL | |
| 10 mM | 0.2051 mL | 1.0255 mL | 2.0509 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.
 Structural basis for inhibition of PI4KIIIβ and PI3Ks by the inhibitor PIK93 (1).J Med Chem. Author manuscript; available in PMC 2017 Feb 2. |
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 Development of novel PI4KIIIβ inhibitors.J Med Chem. Author manuscript; available in PMC 2017 Feb 2. |
 Structural basis of inhibition of PI4KIIIβ by compound 9.
Structural basis for selectivity of compound 9.J Med Chem. Author manuscript; available in PMC 2017 Feb 2. |
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