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ART558
- Optical Purity: 100% e.e.
- Soluble in DMSO and EtOH
- MF: C21H21F3N4O2
- MW: 418.41
Description
ART558 is a highly potent, selective allosteric inhibitor of the polymerase function of DNA polymerase Polθ (IC50 value of 7.9 nM). ART558 inhibits the major Polθ-mediated DNA repair process, Theta-Mediated End Joining, without targeting Non-Homologous End Joining. In addition, ART558 elicits DNA damage and synthetic lethality in BRCA1- or BRCA2-mutant tumour cells and enhances the effects of a PARP inhibitor.
More Information
| Parent CAS No. | 2603528-97-6 |
|---|---|
| Chemical Name | N-Methyl-N-1,3-tolyl-(2S,3R)-1-(3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl)-3-hydroxy-2-pyrrolidinecarboxamide |
| SMILES | C1(C#N)C(N2CC[C@@H](O)[C@H]2C(=O)N(C)C2C=C(C)C=CC=2)=NC(C)=CC=1C(F)(F)F |&1:7,9,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C21H21F3N4O2/c1-12-5-4-6-14(9-12)27(3)20(30)18-17(29)7-8-28(18)19-15(11-25)16(21(22,23)24)10-13(2)26-19/h4-6,9-10,17-18,29H,7-8H2,1-3H3/t17-,18+/m1/s1 |
| InChiKey | YHMDHAMZFMNMTF-MSOLQXFVSA-N |
| CID | 156068882 |
| Short Description | Polθ inhibitor |
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