| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
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| Targets |
BTK (IC50 = 2.1 nM)
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|---|---|
| ln Vitro |
BTK inhibitor 17 (compound 8) could form an HB network with hinge key residues Met477, Glu475, and gatekeeper Thr474 by covalently binding to Cys481[1].
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| ln Vivo |
BTK inhibitor 17 (compound 8; 3-10 mg/kg; oral gavage; daily; for 28 days) treatment prevents the disease from progressing significantly, shows a dose-dependent reduction in paw clinical scores, and does not cause a significant reduction in body weight at any dosage[1].
BTK inhibitor 17 (compound 8) exhibits >95% binding to plasma proteins in three different species: mice, rats, and humans. The following parameters are measured in two species following an intravenous injection: half-life (0.32-hours in rats; 0.42-hours in mice); clearance (54.6-21.3 mL/min/kg in rats; 0.82 mL/kg in mice); volume of distribution (1.55-255 l/kg in rats; 0.82 l/kg in mice); and AUC exposure (604 ng.h/mL in rats; 576 ng.h/mL in mice). BTK inhibitor 17 has a better oral bioavailability (rat, 23.7%; mice, 11.2%) and higher Cmax (rat, 466 ng/mL; mice, 252 ng/mL) and plasma exposure (rat, 642 ng.h/mL; mice, 128 ng.h/mL) after oral administration[1]. |
| Cell Assay |
Animal Model: Male Balb/C mice injected with collagen
Dosage: 3 mg/kg or 10 mg/kg Administration: Oral gavage; daily; for 28 days Result: Inhibited the significant progression of the disease and exhibited a clear dose-dependent reduction per paw clinical scores. |
| References |
| Molecular Formula |
C25H24N6O3
|
|---|---|
| Molecular Weight |
456.50
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| Exact Mass |
456.19
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| Elemental Analysis |
C, 65.78; H, 5.30; N, 18.41; O, 10.51
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| CAS # |
1858206-76-4
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| Related CAS # |
1858206-76-4
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| Appearance |
Solid powder
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| SMILES |
C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NNC3=O)N
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| InChi Key |
QUYXPVXTKPTPCA-QGZVFWFLSA-N
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| InChi Code |
InChI=1S/C25H24N6O3/c1-2-20(32)30-14-6-7-17(15-30)31-23-21(24(26)27-28-25(23)33)22(29-31)16-10-12-19(13-11-16)34-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15H2,(H2,26,27)(H,28,33)/t17-/m1/s1
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| Chemical Name |
4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-6H-pyrazolo[3,4-d]pyridazin-7-one
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| Synonyms |
QQN06764; QQN-06764; QQN 06764; BTK-IN-17; BTK-IN-8
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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 (~219.1 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.48 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 (5.48 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 (5.48 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 | 2.1906 mL | 10.9529 mL | 21.9058 mL | |
| 5 mM | 0.4381 mL | 2.1906 mL | 4.3812 mL | |
| 10 mM | 0.2191 mL | 1.0953 mL | 2.1906 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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