Physicochemical Properties
| Molecular Formula | C19H21N3O2 |
| Molecular Weight | 323.388944387436 |
| Exact Mass | 323.163 |
| CAS # | 827327-28-6 |
| PubChem CID | 1096509 |
| Appearance | White to light yellow solid powder |
| Density | 1.14±0.1 g/cm3(Predicted) |
| Boiling Point | 534.0±60.0 °C(Predicted) |
| LogP | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 24 |
| Complexity | 374 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | N1=C(NCC2C=C(OC)C=CC=2)N(C)C(C2C=CC(OC)=CC=2)=C1 |
| InChi Key | LCVOJBGSGIOMKF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H21N3O2/c1-22-18(15-7-9-16(23-2)10-8-15)13-21-19(22)20-12-14-5-4-6-17(11-14)24-3/h4-11,13H,12H2,1-3H3,(H,20,21) |
| Chemical Name | 5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine |
| 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
| References |
[1]. Selective Small-Molecule Targeting of a Triple Helix Encoded by the Long Noncoding RNA, MALAT1. ACS Chem Biol. 2019 Feb 15;14(2):223-235. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~386.53 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.43 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 (6.43 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 20.8 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 | 3.0922 mL | 15.4612 mL | 30.9224 mL | |
| 5 mM | 0.6184 mL | 3.0922 mL | 6.1845 mL | |
| 10 mM | 0.3092 mL | 1.5461 mL | 3.0922 mL |