Stereochemistry | ACHIRAL |
Molecular Formula | C18H34O4 |
Molecular Weight | 314.4602 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCOC(=O)CCCCCCCCC(=O)OCCCC
InChI
InChIKey=PYGXAGIECVVIOZ-UHFFFAOYSA-N
InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
Molecular Formula | C18H34O4 |
Molecular Weight | 314.4602 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Dibutyl sebacate (DBS) is an organic chemical which is mainly used as a plasticizer in the production of such plastics as cellulose acetate butyrate, cellulose acetate propionate, ethyl cellulose, polyvinyl butyral, polyvinyl chloride, polystyrene, and many synthetic rubbers and other plastics. It is used for plastics in the food packaging industry, in medical devices, and for pharmaceutical applications. It is classified as mildly toxic by ingestion in humans and has shown experimental reproductive effects in animals; however, it is also approved by the US-FDA as a food additive to be used with the minimum quantity needed to produce the intended effect.
Approval Year
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Sample Use Guides
Dibutyl sebacate was selected as a plasticiser in the formulation of sustained-release matrix tablets. Dibutyl sebacate was added to a dichloromethane/EC solution and subsequently spray-dried, or was mixed as a liquid with EC powder. Hydrated tablets were evaluated by frequency sweep and creep rheological tests to correlate the results with drug release.
Route of Administration:
Oral
Dibutyl Sebacate (DBS) was diluted with dimethyl sulfoxide. Estrogenic activity was measured using a yeast two-hybrid system and a fluorescence polarization system within a concentration range of 10^-7 to 10^-3 M. Yeast strain Y190 was transformed with the pGBT9-receptors and pGAD424-coactivators using the lithium acetate method, and an S9 hepatic microsomal fraction was used to implement the mediating influence of metabolic bioactivation. DBS was tested for its ability to displaceflourescent non-steroid estrogen from the estrogen receptor. A threshold of B-galactosidase activity above 0.1, greater than 50% inhibition and a 1.5 fold increase in cell growth over controls was considered estrogenic activity. DBS showed the weakest cytotoxicity among tested compounds and an IC50 value for B-galactosidase that was higher than the applicable measurement range.