Physicochemical Properties
| Molecular Formula | C18H18CL2N2O |
| Molecular Weight | 349.25 |
| Exact Mass | 348.079 |
| CAS # | 2059904-66-2 |
| PubChem CID | 137541784 |
| Appearance | White to off-white solid powder |
| Density | 1.260±0.06 g/cm3(Predicted) |
| Boiling Point | 484.1±45.0 °C(Predicted) |
| LogP | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 23 |
| Complexity | 420 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | LIYLICKKTYEDQP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C18H18Cl2N2O/c1-22-9-8-12-4-2-3-5-14(12)17(22)11-21-18(23)13-6-7-15(19)16(20)10-13/h2-7,10,17H,8-9,11H2,1H3,(H,21,23) |
| Chemical Name | 3,4-dichloro-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]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
| Targets | Ki: 1.8 nM (MOP), 4.2 nM (NOP)[1] |
| ln Vivo | In a mouse model of cancer pain, BPR1M97 (1.8 mg/kg; sc; once) exhibits antinociception[1]. |
| Animal Protocol |
Animal/Disease Models: Male wild-type C57BL/6 mice (25-30 g)[1] Doses: 1.8 mg/kg Route of Administration: subcutaneous (sc) injection (sc); once Experimental Results: Demonstrated antinociception in a murine model of cancer pain. |
| References |
[1]. BPR1M97, a dual mu opioid receptor/nociceptin-orphanin FQ peptide receptor agonist, producespotent antinociceptive effects with safer properties than morphine. Neuropharmacology. 2019 Jul 3:107678. |
Solubility Data
| Solubility (In Vitro) | DMSO: 250 mg/mL (715.82 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.96 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 (5.96 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (5.96 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 | 2.8633 mL | 14.3164 mL | 28.6328 mL | |
| 5 mM | 0.5727 mL | 2.8633 mL | 5.7266 mL | |
| 10 mM | 0.2863 mL | 1.4316 mL | 2.8633 mL |