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1mg |
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5mg |
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10mg |
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Other Sizes |
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Purity: ≥98%
PI3Kδ-IN-1 is a novel, potent, selective, and efficacious PI3Kδ inhibitor with an IC50 of 1.7 nM. PI3Kδ plays an important role controlling immune cell function and has therefore been identified as a potential target for the treatment of immunological disorders. PI3Kδ-IN-1 improved Caco-2 permeability, reduced Caco-2 efflux, reduced hERG PC activity, and increased selectivity profile while maintaining potency in the CD69 hWB assay. The optimization of the aryl substitution then identified a 4'-CN group that improved the human/rodent correlation in microsomal metabolic stability. PI3Kδ-IN-1 is very potent in PK/PD assays and highly efficacious in a mouse collagen-induced arthritis model.
ln Vitro |
Comparing PI3Kδ-IN-1 (compound 52) to other PI3K isoforms, it is more than 100 times more selective. With a selectivity over 660 times that of MNK1 and other reagents in the HTRF experiment, kinome selectivity is likewise quite good. Notably, PI3Kδ-IN-1 exhibits good permeability features and enhanced human/rodent in vitro stability correlations [1].
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ln Vivo |
PI3Kδ-IN-1 (2, 5 mg/kg, orally administered for 42 days) significantly reduced mouse paw edema. After 24 hours in mice, PI3Kδ-IN-1 has an EC50 of 10 nM (ED50 ∼1.25 mg/kg) [1].
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Animal Protocol |
Animal/Disease Models: Male DBA/1 mice (20−25g) [1]
Doses: 0.5, 2, 5 mg/kg Route of Administration: Orally bid for 42 days. Experimental Results: A dose-dependent reduction in clinical scores was observed. Doses of 2 and 5 mg/kg demonstrated more than 50% inhibition of paw swelling [1]. |
References |
[1]. Liu Q, et al. Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase δ (PI3Kδ) Inhibitor for the Treatment of Immunological Disorders. J Med Chem. 2017 Jun 22;60(12):5193-5208.
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Molecular Formula |
C22H20F3N7O2
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Molecular Weight |
471.43511390686
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CAS # |
1911564-39-0
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SMILES |
NC1=NC=NN2C1=C(C(F)(F)F)C=C2C3=CC=C(C#N)C(N4CCN(C(C)=O)C(C)(C)C4=O)=C3
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Synonyms |
PI3Kδ-IN-1
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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 : ~62.5 mg/mL (~132.57 mM)
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Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (4.41 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (4.41 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.1212 mL | 10.6058 mL | 21.2116 mL | |
5 mM | 0.4242 mL | 2.1212 mL | 4.2423 mL | |
10 mM | 0.2121 mL | 1.0606 mL | 2.1212 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.