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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 |
[1]. Letavic MA, et al. 4-Methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-Based P2X7 Receptor Antagonists: Optimization of Pharmacokinetic Properties Leading to the Identification of a Clinical Candidate. Send to
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| Molecular Formula |
C18H13CLF4N6O
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| Molecular Weight |
440.782035589218
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| CAS # |
1627902-21-9
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| SMILES |
ClC1=C(C(F)(F)F)C=CC=C1C(N(CC2)[C@H](C)C(N=N3)=C2N3C4=NC=C(C=N4)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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| 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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| 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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