ML328
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Novel specific inhibitor of bacterial RecBCD helicase-nuclease DNA repair enzyme; Inhibitor of autotaxin (ATX, NPP2)
| Technical Data | |
| Chemical Formula | C22H21F3N6O3S |
| CAS Number | 634175-34-1 |
| Molecular Weight | 506.504 |
| Solubility | DMSO |
| IUPAC/Chemical Name | 8-ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Purity | 98% by HPLC |
| Storage | 0°C (short term), -20°C (long term), desiccated |
| InChI Key | USYVBPXJSBDUTJ-UHFFFAOYSA-N |
| InChl Code | InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-6-8-31(9-7-30)21(35)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-12H,2,6-9H2,1H3,(H,27,35)(H,33,34) |
| Smiles | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(F)(F)F)C(=O)O |

