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Purity: ≥98%
JNJ-40411813 (formerly known as ADX71149) is a novel positive allosteric modulator of the mGlu2R receptor (metabotropic Glutamate 2 receptor) with EC50 of 147 nM. JNJ-40411813 demonstrated an ideal interaction between potency, selectivity, a favorable ADMET/PK and cardiovascular safety profile, and central EEG activity, according to complete in vitro and in vivo profiles. In the clinic, JNJ-40411813 has been studied for anxious depression disorders and schizophrenia. A distinct investigation from the lead compound resulted in the identification of a novel subseries of pyridones substituted with phenylpiperidine. The lead compound's phenyl ring and pyridone core were separated by various spacers as part of the optimization strategy.
| Targets |
mGlu2 Receptor ( EC50 = 147 nM )
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| Cell Assay |
JNJ-40411813, formerly known as ADX71149, is a new positive allosteric modulator with an EC50 of 147 nM that targets the metabotropic glutamate 2 receptor, or mGlu2R.
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| Additional Infomation |
JNJ-40411813 has been used in trials studying the treatment and basic science of Confusion, Schizophrenia, Perceptual Disorders, and Major Depressive Disorder.
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| Molecular Formula |
C20H25CLN2O
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| Molecular Weight |
344.88
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| Exact Mass |
344.166
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| Elemental Analysis |
C, 69.65; H, 7.31; Cl, 10.28; N, 8.12; O, 4.64
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| CAS # |
1127498-03-6
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| Related CAS # |
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| PubChem CID |
25195461
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| Appearance |
White to off-white solid powder
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| LogP |
4.75
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
24
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| Complexity |
500
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C(Cl)=C(N2CCC(C3=CC=CC=C3)CC2)C=CN1CCCC
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| InChi Key |
HYOGJHCDLQSAHX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
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| Chemical Name |
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.25 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 heating and sonication.
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 (7.25 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 (7.25 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8996 mL | 14.4978 mL | 28.9956 mL | |
| 5 mM | 0.5799 mL | 2.8996 mL | 5.7991 mL | |
| 10 mM | 0.2900 mL | 1.4498 mL | 2.8996 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT04836559 | Active Recruiting |
Drug: JNJ-40411813 Drug: Placebo |
Focal Onset Seizures | Janssen Research & Development, LLC |
May 18, 2021 | Phase 2 |
| NCT04677530 | Completed | Drug: JNJ-40411813 Drug: Matching Placebo |
Healthy | Janssen Pharmaceutical K.K. | January 29, 2021 | Phase 1 |
| NCT01358006 | Completed | Drug: JNJ-40411813 | Healthy | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. |
February 2010 | Phase 1 |
| NCT01101659 | Completed | Drug: JNJ-40411813 Drug: Placebo Drug: ketamine |
Perceptual Disorders Confusion Schizophrenia |
Johnson & Johnson Pharmaceutical Research & Development, L.L.C. |
February 2010 | Phase 1 |
| NCT01932320 | Completed | Drug: JNJ-40411813: Formulation A Drug: JNJ-40411813: Formulation B |
Healthy | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. |
February 2010 | Phase 1 |
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