NXE0041178
Based on 1 Customer Validation
NXE0041178 is an orally active and BBB-penetrant full GPR52 agonist, with a pEC50 of 7.5 for human GPR52 and an EC50 of 27.5 nM (pEC50 = 7.55) for rat GPR52. NXE0041178 shows no significant inhibition on hERG, hNaV1.5 and cytochrome P450 isoforms. NXE0041178 can reduce d-amphetamine-induced hyperactivity in rats. NXE0041178 can be used for research of Neurological disease.
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- Purity : 99.97%
- CAS No.: 2642079-89-6
- 화학식: C19H14F4N4O
- 분자량:390.33
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보관:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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용액&용해도
- 순도&문서
- References
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Help & FAQs
Biological Activity
제품 설명
In Vitro
NXE0041178 (Compound HTL0041178) shows no significant inhibition on hERG and hNaV1.5 (IC50 > 10 μM), with low cardiovascular toxicity risk[1].
NXE0041178 has no significant inhibition of major cytochrome P450 isoforms (IC50 > 25 μM)[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Parmacokinetics
| Species | Dose | Route | AUCinf | T1/2 | CL | Vss | Tmax | F | Cmax |
|---|---|---|---|---|---|---|---|---|---|
| Mice[2] | 1 mg/kg | i.v. | 4670 ng·h/mL | 3.4 h | 3.6 mL/min/kg | 1 L/kg | / | / | / |
| Mice[2] | 3 mg/kg | p.o. | 10586 ng·h/mL | / | / | / | 3 h | 76 % | 1112 ng/mL |
| Rat[2] | 1 mg/kg | i.v. | 1919 ng·h/mL | 0.8 h | 8.7 mL/min/kg | 0.6 L/kg | / | / | / |
| Rat[2] | 3 mg/kg | p.o. | 2366 ng·h/mL | / | / | / | 0.5 h | 41 % | 536 ng/mL |
| Cynomolgus Monkey[2] | 1 mg/kg | i.v. | 6283 ng·h/mL | 8.0 h | 2.7 mL/min/kg | 1.7 L/kg | / | / | / |
| Cynomolgus Monkey[2] | 1 mg/kg | p.o. | 5062 ng·h/mL | / | / | / | 2 h | 81 % | 465 ng/mL |
| Cynomolgus Monkey[2] | 3 mg/kg | p.o. | 13764 ng·h/mL | / | / | / | 4 h | 73 % | 838 ng/mL |
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:SD rats induced by d-amphetamine[1]
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Dosage:1 mg/kg, 3 mg/kg, 10 mg/kg
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Administration:Orally administration, single dose
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Result:Caused a dose-related reduction in d-amphetamine-stimulated hyperlocomotion.
Chemical Information
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CAS No. 2642079-89-6
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Appearance Solid
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분자량 390.33
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화학식 C19H14F4N4O
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Color Off-white to light yellow
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SMILES
O=C1NCCC2=C1C=NN2C3=CC(CC4=CC(F)=CC(C(F)(F)F)=C4)=NC=C3
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
용액&용해도
In Vitro:
DMSO : 200 mg/mL (512.39 mM; ultrasonic and warming and heat to 80°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: 5 mg/mL (12.81 mM); Clear solution; Need ultrasonic
This protocol yields a clear solution of 5 mg/mL.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
순도&문서
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Data Sheet (275 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
[1]. Poulter S, et al. The Identification of GPR52 Agonist HTL0041178, a Potential Therapy for Schizophrenia and Related Psychiatric Disorders. ACS Med Chem Lett. 2023;14(4):499-505. Published 2023 Mar 14. [Content Brief]
[2]. Poulter S, et al. Preclinical pharmacokinetics, metabolism, and disposition of NXE0041178, a novel orally bioavailable agonist of the GPR52 receptor with potential for treatment of schizophrenia and related psychiatric disorders. Xenobiotica. 2025;55(3):151-166. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.5619 mL | 12.8097 mL | 25.6193 mL | 64.0484 mL |
| 5 mM | 0.5124 mL | 2.5619 mL | 5.1239 mL | 12.8097 mL | |
| 10 mM | 0.2562 mL | 1.2810 mL | 2.5619 mL | 6.4048 mL | |
| 15 mM | 0.1708 mL | 0.8540 mL | 1.7080 mL | 4.2699 mL | |
| 20 mM | 0.1281 mL | 0.6405 mL | 1.2810 mL | 3.2024 mL | |
| 25 mM | 0.1025 mL | 0.5124 mL | 1.0248 mL | 2.5619 mL | |
| 30 mM | 0.0854 mL | 0.4270 mL | 0.8540 mL | 2.1349 mL | |
| 40 mM | 0.0640 mL | 0.3202 mL | 0.6405 mL | 1.6012 mL | |
| 50 mM | 0.0512 mL | 0.2562 mL | 0.5124 mL | 1.2810 mL | |
| 60 mM | 0.0427 mL | 0.2135 mL | 0.4270 mL | 1.0675 mL | |
| 80 mM | 0.0320 mL | 0.1601 mL | 0.3202 mL | 0.8006 mL | |
| 100 mM | 0.0256 mL | 0.1281 mL | 0.2562 mL | 0.6405 mL |
NXE0041178 Related Classifications
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