Table 1.
List of all tested BAF compounds
| Compound | Molecular formula | Molecular weight* | Sources/purchasing | Rescuing percentage (%) | ZINC entry |
|---|---|---|---|---|---|
| BAF1 | C20H8Br4O5 | 648 | Sigma-Aldrich | 44 ± 7 | ZINC04261875 |
| BAF2 | C19H14O5S | 354 | Sigma-Aldrich | 4 ± 3 | ZINC03860918 |
| BAF3 | C16H13NO3 | 267 | Ryan Scientific | 4 ± 5 | ZINC04289063 |
| BAF4 | C24H16N2O6 | 428 | Aldrich | 88 ± 22 | ZINC13346907 |
| BAF5 | C16H7Na3O10S3 | 524 | Sigma-Aldrich | 11 ± 7 | ZINC03594314 |
| BAF6 | C26H20N2 | 360 | Alfa-Aesar | 5 ± 7 | ZINC08078162 |
| BAF7 | C18H12N6 | 312 | Alfa-Aesar | 2 ± 2 | ZINC00039221 |
| BAF8 | C17H14N2O5S | 358 | Sigma-Aldrich | 23 ± 11 | ZINC12358966 |
| BAF9 | C19H13N3O4S | 379 | NCI plated 2007† | −3 ± 22 | ZINC03954432 |
| BAF10 | C17H13NO3 | 279 | NCI plated 2007 | 3 ± 5 | ZINC00105108 |
| BAF11 | C20H13N2O5S | 393 | NCI plated 2007 | 48 ± 12 | ZINC04521479 |
| BAF12 | C13H8Br3NO | 434 | NCI plated 2007 | 38 ± 6 | ZINC12428965 |
| BAF13 | C19H16ClNO4 | 358 | Sigma-Aldrich | 0 ± 2 | ZINC00601283 |
| BAF14 | C10H6S2O8 | 318 | Sigma-Aldrich | 3 ± 3 | ZINC01532215 |
| BAF15 | C23H28O8 | 432 | Sigma-Aldrich | 13 ± 4 | ZINC00630328 |
| BAF16 | C19H19NO5 | 341 | Sigma-Aldrich | 5 ± 8 | ZINC28616347 |
| BAF17 | C23H25N5O2 | 404 | Sigma-Aldrich | 6 ± 3 | ZINC00579168 |
| BAF18 | C24H16O2 | 336 | ChemDiv | 6 ± 2 | ZINC02168932 |
| BAF19 | C18H14N2O6 | 354 | ChemDiv | 3 ± 4 | ZINC01507439 |
| BAF20 | C25H19N5OS | 438 | ChemDiv | 8 ± 4 | ZINC15859747 |
| BAF21 | C19H14Br2O | 418 | ChemDiv | 6 ± 3 | ZINC38206526 |
| BAF22 | C21H16N2O3S2 | 408 | Life Chemicals | 3 ± 5 | ZINC04496365 |
| BAF23 | C16H11ClO5S | 351 | Enamine Ltd | 3 ± 5 | ZINC02649996 |
| BAF24 | C23H19NO3 | 357 | Sigma-Aldrich | 16 ± 5 | ZINC03953119 |
| BAF25 | C14H8Cl2N4 | 303 | Sigma-Aldrich | 4 ± 3 | ZINC00403224 |
| BAF26 | C17H10O4 | 278 | Aldrich | 46 ± 23 | ZINC05770717 |
| BAF27 | C21H16BrN3O6 | 486 | ChemBridge | 4 ± 1 | ZINC01208856 |
| BAF28 | C17H12N2O3 | 292 | ChemBridge | 2 ± 4 | ZINC00061083 |
| BAF29 | C22H10N4O2 | 362 | ChemBridge | 1 ± 5 | ZINC00639061 |
| BAF30 | C14H8O5 | 256 | Aldrich | 18 ± 13 | ZINC03870461 |
| BAF31 | C19H21NO3 | 311 | Sigma | 84 ± 12 | ZINC00011665 |
| BAF32 | C15H14O7 | 306 | Sigma-Aldrich | 15 ± 9 | ZINC03870336 |
| BAF33 | C27H33N3O8 | 528 | Sigma-Aldrich | 7 ± 2 | SIGMA-R2253§ |
| BAF34 | C30H16N4O14S4 | 785 | Aldrich | ‡ | ALDRICH-S432830§ |
| orange G | C16H12N2O7S2 | 408 | Sigma-Aldrich | −2 ± 8 | ZINC04261935 |
The 25 compounds (BAF1-25) are from the first round, and the nine compounds (BAF26-34) are from the second round. Another set of the 17 derivatives of the BAFs are shown in Table 3.
*
Molecular weight (anhydrous basis) excluding the salt and water molecules.
†
National Cancer Institute (NCI) free compound library (http://dtp.nci.nih.gov/).
‡
Toxicity results of BAF34 were not consistent among several independent replica experiments, possibly due to impurity and the high molecular weight of the compound.
§
ZINC entry of the compound is not applicable, and the catalog number from Sigma-Aldrich is provided.