Physicochemical Properties
| Molecular Formula | C24H23N3O4 |
| Molecular Weight | 417.4571 |
| Exact Mass | 417.168 |
| CAS # | 724737-74-0 |
| PubChem CID | 983464 |
| Appearance | White to off-white solid powder |
| LogP | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 31 |
| Complexity | 583 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | DRVIKYTZILDXIS-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C24H23N3O4/c1-15-6-5-11-27-14-19(26-23(15)27)16-7-9-18(10-8-16)25-24(28)17-12-20(29-2)22(31-4)21(13-17)30-3/h5-14H,1-4H3,(H,25,28) |
| Chemical Name | 3,4,5-trimethoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide |
| 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 Vivo | The MPTP-induced locomotion, dopaminergic neuron cell death, and dopamine content were dramatically recovered by protein deglycase DJ-1 against-1 (Compound 23; 1 mg/kg; i.p.; one hour pretreatment; daily; for 4 days), but not in DJ-1(-/-) mice[1]. |
| Animal Protocol |
Animal/Disease Models: Wild-type male C57BL/6 mice at 8, 11-12 and 9-12 weeks; DJ-1-knockout male mice at 11-13 weeks[1] Doses: 1 mg/kg Route of Administration: IP; pretreatment one hour; daily; for 4 days Experimental Results: Dramatically restored MPTP (30 mg/kg; IP; One hour after injection) induced locomotion, dopaminergic neuronal cell death and dopamine content in DJ-1(+/+) mice but not in DJ- 1(-/-) mice. |
| References |
[1]. DJ-1-dependent protective activity of DJ-1-binding compound no. 23 against neuronal cell death in MPTP-treated mouse model of Parkinson's disease. |
Solubility Data
| Solubility (In Vitro) | DMSO: 25 mg/mL (59.89 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.98 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 20.8 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: ≥ 2.08 mg/mL (4.98 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 20.8 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 | 2.3954 mL | 11.9772 mL | 23.9544 mL | |
| 5 mM | 0.4791 mL | 2.3954 mL | 4.7909 mL | |
| 10 mM | 0.2395 mL | 1.1977 mL | 2.3954 mL |