GNE 5729
Based on 1 Customer Validation
GNE 5729 is an orally active, blood-brain barrier-penetrant positive allosteric modulator of NMDARs containing the GluN2A subunit. GNE 5729 enhances NMDAR responses through allosteric modulation, exhibits selectivity over other NMDAR subtypes and AMPARs, and can be used for research on depression.
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- Purity : 99.05%
- CAS No.: 2026635-66-3
- 화학식: C17H10Cl2F3N5O
- 분자량:428.20
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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
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Biological Activity
제품 설명
IC50 & Target
[1]|
NMDA Receptor |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| CHO | EC50 |
0.037 μM
Compound: 13
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Positive allosteric modulation of GluN1/GluN2A receptor (unknown origin) expressed in CHO cells assessed as increase in glutamate-induced calcium flux measured at time interval of 5 mins in presence of saturating glycine by calcium dye-based fluorescence
Positive allosteric modulation of GluN1/GluN2A receptor (unknown origin) expressed in CHO cells assessed as increase in glutamate-induced calcium flux measured at time interval of 5 mins in presence of saturating glycine by calcium dye-based fluorescence
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[PMID: 28105280] |
In Vitro
GNE 5729 (compound 13) is a potent GluN2A PAM with an EC50 of 0.037 μM and a maximum enhancement of 136%, showing over 1000-fold selectivity for NMDAR over AMPAR in NMDAR/AMPAR cellular assays[1].
GNE 5729 exhibits low human liver microsomal clearance (2 mL/min/kg), an MDCK-MDR1 efflux ratio of 1.6, and a kinetic solubility of 43.5 μM[1].
GNE 5729 is a moderate inactivator with a tau of 3164 ms and a maximum enhancement of 136% in whole-cell voltage-clamp recordings[1].
GNE-5729 shows reduced affinity for GluN2A (EC50 = 37 nM) and reduced selectivity for GluN2C and GluN2D (127-fold and 256-fold, respectively) compared with earlier compounds[4].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Parmacokinetics
Chemical Information
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CAS No. 2026635-66-3
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Appearance Solid
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분자량 428.20
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화학식 C17H10Cl2F3N5O
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Color White to yellow
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SMILES
ClC1=C([C@H]2[C@H](C#N)C2)N3C(C=C1)=NC(CN4N=C(C(F)(F)F)C=C4Cl)=CC3=O
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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 : 100 mg/mL (233.54 mM; Need ultrasonic; 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: ≥ 2.5 mg/mL (5.84 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (5.84 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
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 (286 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
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 |
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| DMSO | 1 mM | 2.3354 mL | 11.6768 mL | 23.3536 mL | 58.3839 mL |
| 5 mM | 0.4671 mL | 2.3354 mL | 4.6707 mL | 11.6768 mL | |
| 10 mM | 0.2335 mL | 1.1677 mL | 2.3354 mL | 5.8384 mL | |
| 15 mM | 0.1557 mL | 0.7785 mL | 1.5569 mL | 3.8923 mL | |
| 20 mM | 0.1168 mL | 0.5838 mL | 1.1677 mL | 2.9192 mL | |
| 25 mM | 0.0934 mL | 0.4671 mL | 0.9341 mL | 2.3354 mL | |
| 30 mM | 0.0778 mL | 0.3892 mL | 0.7785 mL | 1.9461 mL | |
| 40 mM | 0.0584 mL | 0.2919 mL | 0.5838 mL | 1.4596 mL | |
| 50 mM | 0.0467 mL | 0.2335 mL | 0.4671 mL | 1.1677 mL | |
| 60 mM | 0.0389 mL | 0.1946 mL | 0.3892 mL | 0.9731 mL | |
| 80 mM | 0.0292 mL | 0.1460 mL | 0.2919 mL | 0.7298 mL | |
| 100 mM | 0.0234 mL | 0.1168 mL | 0.2335 mL | 0.5838 mL |
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