Size | Price | Stock | Qty |
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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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Targets |
IC50: 3.8 nM (PD-1/PD-L1)[1]
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ln Vitro |
Compound 24 (PD-1/PD-L1-IN-9; 46.9-1500 nM; 2 h pretreatment) dose-dependently stimulates the anti-tumor immunity of peripheral blood mononuclear cells (PBMCs) against MDB-MB 231 cells; the EC50 is roughly 100 nM[1].
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ln Vivo |
PD-1/PD-L1-IN-9 (Compound 24; 40-80 mg/kg; PO; once daily for 2 weeks) does not result in weight loss or death[1], but it does limit tumor growth in a dose-dependent manner. PD-1/PD-L1-IN-9 (3 mg/kg; intravenous injection; single dosage) had a half-life of 4.2 hours, a plasma clearance of 11.5 L/h/kg, and a Cmax of 1233 ng/mL in rats[1]. Rats with Cmax = 192 ng/mL show moderate oral bioavailability (F = 22%) and half-life (t1/2 = 6.4 h) for PD-1/PD-L1-IN-9 (25 mg/kg; oral; single dose)[1].
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Animal Protocol |
Animal/Disease Models: Male balb/c (Bagg ALBino) mouse (5-6 weeks) were inoculated CT26 cells[1]
Doses: 40 mg/kg, 80 mg/kg Route of Administration: Oral gavage; one time/day, for 2 weeks Experimental Results: Dramatically diminished the final tumor weight, with TGI values of 60 and 67% at the dose of 40 and 80 mg/kg, respectively. Animal/Disease Models: pharmacokinetic/PK analysis in SD (Sprague-Dawley) rats[1] Doses: 3 mg/kg and 25 mg/kg Route of Administration: intravenous (iv) injection or oral gavage; single dose Experimental Results: Route Dose (mg/kg) AUC(0-t) (ng·h/mL) Cmax (ng/mL) t1/2 (h) Tmax Cl (L·h /kg) Vz (L/kg) F (%) iv 3 430.5 1233 4.2 0.03 11.5 78.6 / po 25 787.4 192 6.4 0.69 28.8 249.3 22 |
References |
[1]. Wang T, et, al. Novel Biphenyl Pyridines as Potent Small-Molecule Inhibitors Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction. J Med Chem. 2021 May 30.
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Molecular Formula |
C22H24N2O2
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Molecular Weight |
348.44
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CAS # |
2628506-54-5
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Related CAS # |
PD-1/PD-L1-IN-9 hydrochloride
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SMILES |
O(C)C1=C(C=CC(C2C=CC=C(C3C=CC=CC=3)C=2C)=N1)CNCCO
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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 (286.99 mM)
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.17 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 (7.17 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 (7.17 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 | 2.8699 mL | 14.3497 mL | 28.6993 mL | |
5 mM | 0.5740 mL | 2.8699 mL | 5.7399 mL | |
10 mM | 0.2870 mL | 1.4350 mL | 2.8699 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.