Physicochemical Properties
| Molecular Formula | C13H11N3O |
| Molecular Weight | 225.25 |
| Exact Mass | 225.09 |
| CAS # | 179985-52-5 |
| PubChem CID | 3691181 |
| Appearance | Off-white to pink solid powder |
| Density | 1.24g/cm3 |
| Boiling Point | 489.7ºC at 760 mmHg |
| Melting Point | 200-202ºC |
| Flash Point | 250ºC |
| Vapour Pressure | 9.74E-10mmHg at 25°C |
| Index of Refraction | 1.632 |
| LogP | 2.446 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 17 |
| Complexity | 346 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | SRNACQXBALMDDC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H11N3O/c1-8-12(7-14)10-5-3-4-6-11(10)13(15-8)16-9(2)17/h3-6H,1-2H3,(H,15,16,17) |
| Chemical Name | N-(4-cyano-3-methylisoquinolin-1-yl)acetamide |
| 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 | IC50: 0.03 μM (cAK)[1] |
| References |
[1]. Selective inhibition of cyclic AMP-dependent protein kinase by isoquinoline derivative. Biol Chem Hoppe Seyler. 1996 Jun;377(6):373-8. |
Solubility Data
| Solubility (In Vitro) | DMSO: 62.5 mg/mL (277.47 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (9.23 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 | 4.4395 mL | 22.1976 mL | 44.3951 mL | |
| 5 mM | 0.8879 mL | 4.4395 mL | 8.8790 mL | |
| 10 mM | 0.4440 mL | 2.2198 mL | 4.4395 mL |