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Purity: ≥98%
JNJ-54175446 (JNJ54175446) is a novel, potent and selective brain penetrant P2X7 receptor antagonist being developed for treating major depressive disorder. It inhibits hP2X7 receptor and rP2X7 receptor with pIC50s of 8.46 and 8.81, respectively. JNJ-5417544 has suitable physicochemical properties, metabolic stability and an excellent pharmacokinetic profile, good partitioning into the CNS and show robust in vivo target engagement after oral dosing. JNJ-54175446 has been advanced as a candidate to clinical development.
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| ln Vitro |
Compound 14, also known as JNJ-54175446, is a strong and specific brain penetrant P2X7 antagonist. Its pIC50s for hP2X7 and rP2X7 are 8.46 and 8.81, respectively. In comparison to mouse, dog, and macaque P2X7 (pIC50, 7.8, 7.9, and 8.1, respectively), JNJ-54175446 exhibits less strong activity[1].
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| ln Vivo |
The ED50 of JNJ-54175446 is 0.46 mg/kg, which is equivalent to a plasma EC50 of 105 ng/mL. This indicates dose-dependent occupancy[1].
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| References | ||
| Additional Infomation |
JNJ-54175446 is under investigation in clinical trial NCT02933762 (A Study in Healthy Participants to Evaluate the Effect of JNJ-54175446 on Amyloid Biomarkers and Cytokine Profiles in Cerebrospinal Fluid and Plasma).
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| Molecular Formula |
C18H13CLF4N6O
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| Molecular Weight |
440.782035589218
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| Exact Mass |
440.077
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| CAS # |
1627902-21-9
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| PubChem CID |
90409366
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
30
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| Complexity |
634
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| Defined Atom Stereocenter Count |
1
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| SMILES |
ClC1C(C(F)(F)F)=CC=CC=1C(N1CCC2=C([C@H]1C)N=NN2C1N=CC(=CN=1)F)=O
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| InChi Key |
CWFVVQFVGMFTBD-SECBINFHSA-N
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| InChi Code |
InChI=1S/C18H13ClF4N6O/c1-9-15-13(29(27-26-15)17-24-7-10(20)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)19)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m1/s1
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| Chemical Name |
(R)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridin-5-yl)methanone
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| Synonyms |
JNJ54175446; JNJ 54175446; JNJ-54175446
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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 (~141.79 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.72 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 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 (4.72 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 20.8 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: ≥ 2.08 mg/mL (4.72 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 | 2.2687 mL | 11.3435 mL | 22.6871 mL | |
| 5 mM | 0.4537 mL | 2.2687 mL | 4.5374 mL | |
| 10 mM | 0.2269 mL | 1.1344 mL | 2.2687 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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