Physicochemical Properties
| Molecular Formula | C23H24CLN3O3S |
| Molecular Weight | 457.97296333313 |
| Exact Mass | 457.122 |
| CAS # | 2133294-96-7 |
| Related CAS # | Foliglurax;1883329-51-8 |
| PubChem CID | 135565464 |
| Appearance | Light yellow to yellow solid powder |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 31 |
| Complexity | 652 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | Cl.S1C=CC2=CN=C(C=C12)C1=C/C(/C2=C(C=CC(=C2)CCCN2CCOCC2)O1)=N/O |
| InChi Key | LOBGNYCFXPNFJB-LUINMZRLSA-N |
| InChi Code | InChI=1S/C23H23N3O3S.ClH/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26;/h3-5,11-15,27H,1-2,6-10H2;1H/b25-19+; |
| Chemical Name | (NE)-N-[6-(3-morpholin-4-ylpropyl)-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine;hydrochloride |
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 | The field of mGlu4 receptor drug uptake to treat disorders of the central nervous system may undergo a revolution thanks to foliglurax monoHClide, a highly selective and potent mGlu4 receptor PAM with notable brain penetration properties [2]. |
| References |
[1]. Discovery, Structure-Activity Relationship, and Antiparkinsonian Effect of a Potent and Brain-Penetrant Chemical Series of Positive Allosteric Modulators of Metabotropic Glutamate Receptor 4. J Med Chem. 2017 Oct 26;60(20):8515-8537. [2]. Opportunities and challenges in drug discovery targeting metabotropic glutamate receptor 4. Expert Opin Drug Discov. 2018 May;13(5):411-423. |
Solubility Data
| Solubility (In Vitro) |
H2O : ~25 mg/mL (~54.59 mM) DMSO : ~5 mg/mL (~10.92 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.5 mg/mL (1.09 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 5.0 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: ≥ 0.5 mg/mL (1.09 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 5.0 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: ≥ 0.5 mg/mL (1.09 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 5.0 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 | 2.1835 mL | 10.9177 mL | 21.8355 mL | |
| 5 mM | 0.4367 mL | 2.1835 mL | 4.3671 mL | |
| 10 mM | 0.2184 mL | 1.0918 mL | 2.1835 mL |