Physicochemical Properties
| Molecular Formula | C14H15N3O3 |
| Molecular Weight | 273.29 |
| Exact Mass | 273.111 |
| CAS # | 345893-91-6 |
| PubChem CID | 135484493 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.34g/cm3 |
| Boiling Point | 419ºC at 760 mmHg |
| Flash Point | 207.2ºC |
| Index of Refraction | 1.637 |
| LogP | 2.403 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 20 |
| Complexity | 508 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | SGJLINMLDNLWOS-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H15N3O3/c1-8-7-12(18)17(20)14(19)13(8)9(2)16-11-6-4-3-5-10(11)15/h3-7,19-20H,15H2,1-2H3 |
| Chemical Name | 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-1,6-dihydroxy-4-methylpyridin-2-one |
| 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 Vitro | In T47D cells, SUN B8155 (1-1000 μM; 1 hour) increases intracellular cAMP production in a concentration-dependent manner; at the highest dose, the concentration of produced cAMP increased by about 42-fold. Additionally, SUN B8155 promotes the production of cAMP in the rat osteogenic sarcoma-derived cell line UMR106-06[1]. While SUN B8155 completely promotes cAMP formation in CHO/hCTR cells in a concentration-dependent manner with an EC50 of 21 μM, it does not stimulate cAMP formation in CHO/hPTHR or parental CHO cells[1]. |
| ln Vivo | Thirty minutes after delivery, SUN B8155 (100 mg/kg; ip) significantly lowers the serum calcium content by about 9%. Serum calcium levels are also lowered by human CT in a dose-dependent manner at 30 and 60 minutes (0.1 and 0.3 μg/kg) following administration[1]. |
| References |
[1]. Discovery of a non-peptide small molecule that selectively mimics the biological actions of calcitonin. Biochim Biophys Acta. 2001;1526(2):183-190. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (365.91 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.15 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 25.0 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6591 mL | 18.2956 mL | 36.5912 mL | |
| 5 mM | 0.7318 mL | 3.6591 mL | 7.3182 mL | |
| 10 mM | 0.3659 mL | 1.8296 mL | 3.6591 mL |