PDD00031705

For research use only. Not for therapeutic Use.

  • CAT Number: I016816
  • CAS Number: 2032096-45-8
  • Molecular Formula: C20H22N6O3S3
  • Molecular Weight: 490.62
  • Purity: ≥95%
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PDD00031705 is a benzimidazolone core cell-inactive inhibitor of Poly (ADP-ribose) glycohydrolase (PARG)[1].
PDD00031705 shows some modest toxicity in in HeLa cells[1].


Catalog Number I016816
CAS Number 2032096-45-8
Synonyms

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,2,4-thiadiazol-5-yl)benzimidazole-5-sulfonamide

Molecular Formula C20H22N6O3S3
Purity ≥95%
InChI InChI=1S/C20H22N6O3S3/c1-12-17(30-13(2)23-12)10-25-15-6-5-14(32(28,29)24(4)20(3)7-8-20)9-16(15)26(19(25)27)18-21-11-22-31-18/h5-6,9,11H,7-8,10H2,1-4H3
InChIKey KWGUETFSHQZXMA-UHFFFAOYSA-N
SMILES CC1=C(SC(=N1)C)CN2C3=C(C=C(C=C3)S(=O)(=O)N(C)C4(CC4)C)N(C2=O)C5=NC=NS5
Reference

[1]. James DI, et al. First-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to AZD2281. ACS Chem Biol. 2016 Nov 18;11(11):3179-3190. Epub 2016 Oct 12.
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