Physicochemical Properties
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.23 |
| Exact Mass | 207.089 |
| CAS # | 168705-70-2 |
| PubChem CID | 9837165 |
| Appearance | Light yellow to yellow liquid |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 349.2±21.0 °C at 760 mmHg |
| Flash Point | 165.0±22.1 °C |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.557 |
| LogP | 0.89 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 15 |
| Complexity | 244 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C(N(CC1=CC=C2OCOC2=C1)C)(=O)C |
| InChi Key | JIWDGIYBLGMPRV-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C11H13NO3/c1-8(13)12(2)6-9-3-4-10-11(5-9)15-7-14-10/h3-5H,6-7H2,1-2H3 |
| Chemical Name | N-(1,3-benzodioxol-5-ylmethyl)-N-methylacetamide |
| 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 | Human Endogenous Metabolite |
| ln Vitro | SY-640 reduces the quantity of cells that invade the liver and lessens the elevation in leukocyte function-associated antigen-1 expression on these cells[1]. |
| ln Vivo | Although a single dosage has little impact, SY-640 (oral; 150 mg/kg; once daily for 7 days) effectively reduces liver injury produced by lipopolysaccharide and Propionibacterium acnes[1]. In mice, SY-640 (po; 150 mg/kg; once daily for three days) dramatically raises the amount of liver microsomal cytochrome P-450 and the activity of aminopyrine demethylase. Two hours after oral SY-640 treatment, there is a clear inhibition of the hepatic microsomal aminopyrine demethylase activity[2]. |
| References |
[1]. Hepatoprotective effect of SY-640, a novel acetamide derivative, on Propionibacterium acnes and lipopolysaccharide-induced liver injury in mice. Arch Int Pharmacodyn Ther. Mar-Apr 1995;329(2):319-30. [2]. [Inhibitory effect of 2-(N-acetyl-methyl amino)-3',4'-methylenedioxyacetyl-aminophene(SY-640) on covalent binding of carcinogenic benzo(a)pyrene with mouse hepatocyte nuclear DNA]. Yao Xue Xue Bao. 1997 Sep;32(9):663-8. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (482.56 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.06 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 | 4.8256 mL | 24.1278 mL | 48.2556 mL | |
| 5 mM | 0.9651 mL | 4.8256 mL | 9.6511 mL | |
| 10 mM | 0.4826 mL | 2.4128 mL | 4.8256 mL |