WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 584646
CAS#: 1862212-48-3
Description: TH 1217 is a potent dCTP pyrophosphatase 1 inhibitor.
MedKoo Cat#: 584646
Name: TH 1217
CAS#: 1862212-48-3
Chemical Formula: C20H17BCl2N4O6
Exact Mass: 490.0618
Molecular Weight: 491.088
Elemental Analysis: C, 48.92; H, 3.49; B, 2.20; Cl, 14.44; N, 11.41; O, 19.55
Synonym: TH 1217
IUPAC/Chemical Name: 2-[4-[[5,6-Dichloro-2-methyl-4-nitro-1H-benzo[d]-imidazol-1-yl]methyl]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChi Key: FUJZJWQLQGXDEK-UHFFFAOYSA-N
InChi Code: InChI=1S/C20H17BCl2N4O6/c1-11-24-19-15(7-14(22)18(23)20(19)27(30)31)26(11)8-12-3-5-13(6-4-12)21-32-16(28)9-25(2)10-17(29)33-21/h3-7H,8-10H2,1-2H3
SMILES Code: O=C(CN(C)C1)OB(C2=CC=C(CN3C(C)=NC4=C([N+]([O-])=O)C(Cl)=C(Cl)C=C34)C=C2)OC1=O
Llona-Minguez et al (2016) Discovery of the first potent and selective inhibitors of human dCTP pyrophosphatase 1. J.Med.Chem. 59 1140 PMID: 26771665