Physicochemical Properties
| Molecular Formula | C31H36N2O |
| Molecular Weight | 452.63 |
| Exact Mass | 452.283 |
| CAS # | 138046-43-2 |
| PubChem CID | 9911716 |
| Appearance | White to off-white solid powder |
| LogP | 7.953 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 34 |
| Complexity | 658 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | FMLJREWZCZHGGW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C31H36N2O/c1-21-16-22(2)30(23(3)17-21)32-31(34)33(27-11-6-4-5-7-12-27)20-24-14-15-29-26(18-24)19-25-10-8-9-13-28(25)29/h8-10,13-18,27H,4-7,11-12,19-20H2,1-3H3,(H,32,34) |
| Chemical Name | 1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea |
| 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 the presence of acLDL without Cu2+, foam cells collected esterified cholesterol (EC) over 24 hours, a process that is inhibited by KY-455 and YM-750[3]. |
| References |
[1]. N-[2-[N'-pentyl-(6,6-dimethyl-2,4-heptadiynyl)amino]ethyl]- (2-methyl-1-naphthylthio)acetamide (FY-087). A new acyl coenzyme a:cholesterol acyltransferase (ACAT) inhibitor of diet-induced atherosclerosis formation in mice. Biochem Pharmac. [2]. Human acyl-CoA:cholesterol acyltransferase (ACAT) and its potential as a target for pharmaceutical intervention against atherosclerosis. Acta Biochim Biophys Sin (Shanghai). 2006;38(3):151-156. [3]. Effects of an anti-oxidative ACAT inhibitor on apoptosis/necrosis and cholesterol accumulation under oxidative stress in THP-1 cell-derived foam cells. Life Sci. 2008;82(1-2):79-84. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (220.93 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.52 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 25.0 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 | 2.2093 mL | 11.0466 mL | 22.0931 mL | |
| 5 mM | 0.4419 mL | 2.2093 mL | 4.4186 mL | |
| 10 mM | 0.2209 mL | 1.1047 mL | 2.2093 mL |