| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
|
||
| 250mg |
|
Purity: ≥98%
GNE 5729 is a novel, potent, brain permeable positive allosteric modulator (PAM) and GluN2A subunit-selective of NMDAR with an EC50 of 37 nM for GluN2A, 4.7 and 9.5 μM for GluN2C and GluN2D, respectively. The N-methyl-d-aspartate receptor (NMDAR) is an ionotropic glutamate receptor, gated by the endogenous coagonists glutamate and glycine, permeable to Ca2+ and Na+. NMDAR dysfunction is associated with numerous neurological and psychiatric disorders, including schizophrenia, depression, and Alzheimer's disease. GNE-0723 is a and brain-penetrant positive allosteric modulatorof NMDARs.
| ln Vitro |
The NMDAR positive allosteric modulator GNE 5729 penetrates the brain and has an EC50 of 37 nM for GluN2A, 4.7 μM for GluN2C, and 9.5 μM for GluN2D [1].
|
|---|---|
| References |
| Molecular Formula |
C17H10CL2F3N5O
|
|---|---|
| Molecular Weight |
428.195411205292
|
| Exact Mass |
427.021
|
| CAS # |
2026635-66-3
|
| PubChem CID |
122630795
|
| Appearance |
White to yellow solid powder
|
| Density |
1.7±0.1 g/cm3
|
| Boiling Point |
527.6±60.0 °C at 760 mmHg
|
| Flash Point |
272.9±32.9 °C
|
| Vapour Pressure |
0.0±1.4 mmHg at 25°C
|
| Index of Refraction |
1.702
|
| LogP |
2.73
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
28
|
| Complexity |
900
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
C1[C@H]([C@@H]1C2=C(C=CC3=NC(=CC(=O)N32)CN4C(=CC(=N4)C(F)(F)F)Cl)Cl)C#N
|
| InChi Key |
GPMGDUIAVSFGGH-WCBMZHEXSA-N
|
| InChi Code |
InChI=1S/C17H10Cl2F3N5O/c18-11-1-2-14-24-9(7-26-13(19)5-12(25-26)17(20,21)22)4-15(28)27(14)16(11)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2/t8-,10+/m0/s1
|
| Chemical Name |
(1R,2R)-2-(7-chloro-2-((5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
|
| Synonyms |
GNE-5729; GNE 5729; GNE5729.
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~233.54 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.84 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 (5.84 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3354 mL | 11.6768 mL | 23.3536 mL | |
| 5 mM | 0.4671 mL | 2.3354 mL | 4.6707 mL | |
| 10 mM | 0.2335 mL | 1.1677 mL | 2.3354 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.
 (A) Overlay of modeled compound3(purple) and GluN2A/GluN1 X-ray cocrystal structure with compound2(PDB ID 5TP9 gray). The amide in compound3may force the larger core to clash slightly with Glu132. Distances are between the Glu132 backbone nitrogen and hydrogen in3or sulfur in2. (B) Overlay of a model of compound3(purple) and X-ray crystal structure of compound9(PDB ID 5TPA, gray). The cyclopropyl nitrile in9may allow the larger core to shift away from Glu132. Distances are between the Glu132 backbone nitrogen and hydrogens in3and9.ACS Med Chem Lett. 2017 Jan 12; 8(1): 84–89. |
|---|
 (A) Overlay of whole cell voltage clamp recordings comparing deactivation kinetics for GNE-0723 (1) in red and GNE-5729 (13) in blue compared to the endogenous coagonists (saturating glycine and 100 μM glutamate) in black.ACS Med Chem Lett. 2017 Jan 12; 8(1): 84–89. |
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
COA