Table 1.
Overview of test panel Overview of the 51-compound panel used to test for agonistic activity on human and polar bear PXRs in an in vitro ligand activation assay.
| Compound name | Supplier | Product number | Cas No | Mol. mass (g/mol) | Formula |
|---|---|---|---|---|---|
| Pharmaceuticals | |||||
| Rifampicin | Sigma Aldrich | R3501 | 13292-46-1 | 822.94 | C43H58N4O12 |
| SR12813(1) | Sigma Aldrich | S4194 | 126411-39-0 | 504.53 | C24H42O7P2 |
| Carbamazepine | Sigma Aldrich | C4024 | 298-46-4 | 236.27 | C15H12N2O |
| Clotrimazole | Sigma Aldrich | C6014 | 23593-75-1 | 344.84 | C22H17ClN2 |
| Ketoconazole | Sigma Aldrich | K1003 | 65277-42-1 | 531.43 | C26H28Cl2N4O4 |
| Omeprazole | Sigma Aldrich | O104 | 73590-58-6 | 345.42 | C17H19N3O3S |
| Pesticides | |||||
| Methoxychlor | Sigma Aldrich | M1501 | 72-43-5 | 345.65 | C16H15Cl3O2 |
| Dieldrin | Sigma Aldrich | 33491 | 60-57-1 | 380.91 | C12H8Cl6O |
| Chlordane | Sigma Aldrich | 45378 | 12789-03-6 | 409.78 | C10H6Cl8 |
| Pentachlorophenol | Sigma Aldrich | P2604 | 87-86-5 | 266.34 | C6HCl5O |
| Toxaphene | Sigma Aldrich | PS79 | 8001-35-2 | 411.79 | C10H8Cl8 |
| Endosulfan (α+β ~ 2:1) | Sigma Aldrich | 32015 | 115-29-7 | 406.93 | C9H6Cl6O3S |
| α-hexachlorocyclohexane (α-HCH) | Sigma Aldrich | 33856 | 319-84-6 | 290.83 | C6H6Cl6 |
| Lindane (γ-HCH) | Sigma Aldrich | 45548 | 58-89-9 | 290.83 | C6H6Cl6 |
| Vinclozolin | Sigma Aldrich | 45705 | 50471-44-8 | 286.11 | C12H9Cl2NO3 |
| 4,4′-DDT(2) | Sigma Aldrich | 31041 | 50-29-3 | 354.49 | C14H9Cl5 |
| 4,4′-DDE(3) | Sigma Aldrich | 35487 | 72-55-9 | 318.03 | C14H8Cl4 |
| 1,2,3-trichlorobenzene (1,2,3-TCB) | Sigma Aldrich | 36742 | 87-61-6 | 181.45 | C6H3Cl3 |
| 1,2,4-trichlorobenzene (1,2,4-TCB) | Sigma Aldrich | 36627 | 120-82-1 | 181.45 | C6H3Cl3 |
| Polychlorinated biphenyls | |||||
| PCB 28 | ATHON project | 7012-37-5 | 257.54 | C12H7Cl3 | |
| PCB 47 | ATHON project | 2437-79-8 | 291.99 | C12H6Cl4 | |
| PCB 52 | ATHON project | 35693-99-3 | 291.99 | C12H6Cl4 | |
| PCB 60 | AccuStandard | C060N | 33025-41-1 | 291.10 | C12H6Cl4 |
| PCB 97 | AccuStandard | C097N | 41464-51-1 | 326.43 | C12H5Cl5 |
| PCB 101 | ATHON project | 37680-73-2 | 326.43 | C12H5Cl5 | |
| PCB 118 | ATHON project | 57465-28-8 | 326.43 | C12H5Cl5 | |
| PCB 138 | ATHON project | 35065-28-2 | 360.88 | C12H4Cl6 | |
| PCB 151 | AccuStandard | C151N | 52663-63-5 | 360.88 | C12H4Cl6 |
| PCB 153 | ChemService | 5019C | 35065-27-1 | 360.88 | C12H4Cl6 |
| PCB 170 | ATHON project | 35065-30-6 | 395.32 | C12H3Cl7 | |
| PCB 180 | ATHON project | 35065-29-3 | 395.32 | C12H3Cl7 | |
| PCB 183 | AccuStandard | C183N | 52663-69-1 | 395.32 | C12H3Cl7 |
| PCB 184 | AccuStandard | C184N | 74472-48-3 | 395.32 | C12H3Cl7 |
| PCB 190 | ATHON project | 41411-64-7 | 395.32 | C12H3Cl7 | |
| Brominated flame retardants | |||||
| BDE 28 | FIRE project | 2050-47-7 | 328.00 | C12H8Br2O | |
| BDE 47 | FIRE project | 5436-43-1 | 485.79 | C12H6Br4O | |
| BDE 99 | FIRE project | 60348-60-9 | 564.69 | C12H5Br5O | |
| BDE 100 | FIRE project | 189084-64-8 | 564.69 | C12H5Br5O | |
| BDE 153 | FIRE project | 68631-49-2 | 643.58 | C12H4Br6O | |
| BDE 209 | Chiron AS | 1811.12 | 68631-49-2 | 959.17 | C12Br10O |
| PentaBDE mix | FIRE project | ||||
| BDE47 (42%) | 5436-43-1 | 485.79 | C12H6Br4O | ||
| BDE99 (34%) | 60348-60-9 | 564.69 | C12H5Br5O | ||
| BDE100 (9%) | 189084-64-8 | 564.69 | C12H5Br5O | ||
| BDE153 (2%) | 68631-49-2 | 643.58 | C12H4Br6O | ||
| BDE154 (2%) | 207122-15-4 | 643.58 | C12H4Br6O | ||
| HBCD(4) technical mixture | FIRE project | ||||
| α-HBCD (10%) | 134237-50-6 | 641.70 | C12H18Br6 | ||
| β-HBCD (9%) | 134237-51-7 | 641.70 | C12H18Br6 | ||
| γ-HBCD (81%) | 134237-52-8 | 641.70 | C12H18Br6 | ||
| Tetrabromobisphenol A (TBBPA) | Sigma Aldrich | 330396 | 79-94-7 | 543.87 | C15H12Br4O2 |
| Siloxanes | |||||
| Hexamethylcyclotrisiloxane (D3) | Sigma Aldrich | 235687 | 541-05-9 | 222.46 | C6H18O3Si3 |
| Octamethylcyclotetrasiloxane (D4) | Sigma Aldrich | 235695 | 556-67-2 | 296.62 | C8H24O4Si4 |
| Decamethylcyclopentasiloxane (D5) | Sigma Aldrich | 444278 | 541-02-6 | 370.77 | C10H30O5Si5 |
| Miscellaneous | |||||
| β-naphtoflavone (BNF) | Sigma Aldrich | N3633 | 6051-87-2 | 272.30 | C19H12O2 |
| 4-nonylphenol | Fluka | 74430 | 104-40-5 | 220.35 | C15H24O |
| 4-octylphenol | Sigma Aldrich | 384445 | 1806-26-4 | 206.32 | C14H22O |
| Bisphenol A (BPA) | Sigma Aldrich | 239658 | 80-05-7 | 228.29 | C15H16O2 |
| Perfluorononanoic acid (PFNA) | Sigma Aldrich | 77282 | 375-95-1 | 464.08 | C9HF17O2 |
(1)
4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol
(2)
Dichlorodiphenyltrichloroethane
(3)
Dichlorodiphenyldichloroethylene
(4)
Hexabromocyclododecane