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Purity: = 99.84%
Aticaprant (formerly also known as JNJ-67953964; LY-2456302; CERC501) is a novel, potent, oral, selective, CNS-penetrant and short-acting antagonist of the kappa / κ-opioid receptor (KOR) with a Ki of 0.807 nM (versus 24.0 nM and 155 nM for the μ-opioid receptor (MOR) and δ-opioid receptor (DOR). Acaprant is being developed to treat alcoholism, nicotine addiction, and dependence on illicit drugs, as well as major depressive disorder. It is anticipated that a regulatory application for the drug's approval will be filed by 2025. According to research, aticaprant significantly occupies and antagonizes the MOR at a dose of at least 25 mg but not 10 mg or less. In humans, it has been found to dose-dependently block fentanyl-induced miosis at 25 mg and 60 mg (with minimal to no blockade at doses of 4 to 10 mg).
| Targets |
kappa opioid ( Ki = 0.807 nM )
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|---|---|
| ln Vitro |
Aticaprant (CERC-501) binds to the human kappa opioid receptor with great affinity; it is 30 times more soluble than the human mu opioid receptor and 190 times more soluble than the human delta opioid receptor. For a number of non-opioid cell surface G-protein-coupled receptor targets, such as the central benzodiazepine binding site, ion channel/transporter binding targets, muscarinic, cholinergic, and adrenergic receptors, aticaprant (CERC-501) exhibits no discernible affinity[1].
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| ln Vivo |
Aticaprant (CERC-501) exhibits a good oral bioavailability (F=25%) and a rapid absorption (tmax=1-2 h). Without showing any signs of mu or delta receptor occupancy, oral administration of Aticaprant (CERC-501) selectively and potently occupies central kappa opioid receptors (ED50=0.33 mg/kg). At doses more than thirty times higher than LY2456302, kappa-agonist-mediated analgesia and prepulse inhibition disruption are potently blocked without compromising mu-agonist-mediated effects. In the mouse forced swim test, aticaprant (CERC-501) mimics the effects of antidepressants and amplifies the benefits of citalopram and imipramine. In rats that prefer alcohol, aticaprant (CERC-501) lowers ethanol self-administration[1]. According to pre-treatment mice that had been nicotine-withdrawn, aticaprant (CERC-501) reduces the symptoms of the nicotine withdrawal syndrome, as demonstrated by decreased expression of anxiety-related behavior, somatic signs, and CPA as well as increased hotplate latency[2].
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| Animal Protocol |
Rats: The pharmacokinetic parameters of Aticaprant (CERC-501) are ascertained by giving a single intravenous (IV) dose of 1 mg/kg and an oral (PO) dose of 10 mg/kg to three male cannulated rats. Aticaprant (CERC-501) concentrations are ascertained by liquid chromatography coupled to tandem mass spectral detection analysis of plasma samples obtained at 0.08 (IV only), 0.25, 0.5, 1, 2, 4, 8, 12 and 24 hours post-dose[1].
Mice: To ascertain the pharmacokinetic parameters, male mice receive a single oral dose of Aticaprant (10 mg/kg CERC-501). The amounts of Aticaprant are found by LCeMS/MS analysis of plasma samples taken at 0.5, 1, 2, 4, 8, and 24 hours after dosage (CERC-501). By using equilibrium dialysis at a concentration of 1 μM, the binding of Aticaprant (CERC-501) to the brain and plasma is found[1]. |
| References |
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| Molecular Formula |
C26H27FN2O2
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|---|---|
| Molecular Weight |
418.50318
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| Exact Mass |
418.21
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| Elemental Analysis |
C, 74.62; H, 6.50; F, 4.54; N, 6.69; O, 7.65
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| CAS # |
1174130-61-0
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| Appearance |
Solid powder
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| SMILES |
CC1=CC(=CC(=C1)[C@@H]2CCCN2CC3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)N)F)C
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| InChi Key |
ZHPMYDSXGRRERG-DEOSSOPVSA-N
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| InChi Code |
InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1
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| Chemical Name |
4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
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| Synonyms |
JNJ67953964; CERC-501; LY-2456302; JNJ 67953964; CERC501; LY2456302; CERC 501; LY 2456302; JNJ-67953964
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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 (~239.0 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.97 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 (5.97 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (5.97 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 | 2.3895 mL | 11.9474 mL | 23.8949 mL | |
| 5 mM | 0.4779 mL | 2.3895 mL | 4.7790 mL | |
| 10 mM | 0.2389 mL | 1.1947 mL | 2.3895 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 |
| NCT05518149 | Recruiting | Drug: Aticaprant | Depressive Disorder, Major | Janssen Research & Development, LLC |
September 22, 2022 | Phase 3 |
| NCT05550532 | Recruiting | Drug: Aticaprant Other: Placebo |
Depressive Disorder, Major Anhedonia |
Janssen Research & Development, LLC |
December 6, 2022 | Phase 3 |
| NCT05455684 | Recruiting | Drug: Aticaprant Other: Placebo |
Depressive Disorder, Major Anhedonia |
Janssen Research & Development, LLC |
June 22, 2022 | Phase 3 |
| NCT05197062 | Completed | Drug: 14C-aticaprant | Healthy | Janssen Research & Development, LLC |
January 14, 2022 | Phase 1 |
| NCT04791332 | Completed | Drug: JNJ-67953964 Drug: Placebo |
Healthy | Janssen Pharmaceutical K.K. | April 30, 2021 | Phase 1 |
 LY2456302 attenuates physical and affective nicotine withdrawal signs in mice.Neuropharmacology.2015 Oct;97:270-4. |
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 LY2456302 blocks expression of nicotine withdrawal aversion.Neuropharmacology.2015 Oct;97:270-4. |
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