Physicochemical Properties
| Molecular Formula | C30H37N7O2 |
| Molecular Weight | 527.660485982895 |
| Exact Mass | 527.3 |
| CAS # | 460330-27-2 |
| PubChem CID | 3195790 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 39 |
| Complexity | 835 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C1C(C(N2CCN(C3CCCCC3)CC2)C2N(CCC3C=CC=CC=3)N=NN=2)=CC2C(=CC=C(C=2)OC)N1 |
| InChi Key | ZVWPOIUAPXDLMB-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C30H37N7O2/c1-39-25-12-13-27-23(20-25)21-26(30(38)31-27)28(36-18-16-35(17-19-36)24-10-6-3-7-11-24)29-32-33-34-37(29)15-14-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20-21,24,28H,3,6-7,10-11,14-19H2,1H3,(H,31,38) |
| Chemical Name | 3-[(4-cyclohexylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one |
| Synonyms | GT 949; GT949; GT-949 |
| 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) |
Biological Activity
| ln Vitro | Glutamate transport is improved by GT 949 (GT949), which has an EC50 of 0.26 ± 0.03 nM. Additionally, GT 949 is selective for EAAT2 and does not affect glutamate activity mediated by EAAT1 or EAAT3 [1]. It was also investigated how GT 949 affected the rates of glutamate uptake in EAAT2-transfected cells. By improving glutamate transport in a non-competitive way, GT 949 raises Vmax by about 47% [1]. |
| References |
[1]. Identification of Novel Allosteric Modulators of Glutamate Transporter EAAT2. ACS Chem Neurosci. 2018 Mar 21;9(3):522-534. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~94.76 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.74 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 (4.74 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (4.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8952 mL | 9.4758 mL | 18.9516 mL | |
| 5 mM | 0.3790 mL | 1.8952 mL | 3.7903 mL | |
| 10 mM | 0.1895 mL | 0.9476 mL | 1.8952 mL |