ART812 is an oral inhibitor of active DNA polymerase Polθ with an IC50 value of 7.6 nM.

 

Brand: BCM

 

Target: DNA/RNA Synthesis

 

Signaling Pathways: Cell Cycle/Checkpoint; DNA Damage/DNA Repair

 

In Vitro: ART812 (0-40 μM) elicits Polθ inhibitor sensitivity in MDA-MB-436 SHLD2 knockout cells

 

Boiling Point: 691.2±55.0 °C(Predicted)

 

pKa: 11.99±0.60(Predicted)

 

Solubility: Soluble in DMSO; Soluble in Ethanol. Insoluble in Water.

 

Isomeric SMILES: CC1=CC(=CC(=N1)N2[C@@H]([C@@H]([C@@H](C2=O)O)O)C(=O)N(C)C3=CC(=C(C=C3)F)Cl)C(F)(F)F  

 

InChIKey: YJJOABOMFPGRED-JYJNAYRXSA-N  

 

InChI: InChI=1S/C19H16ClF4N3O4/c1-8-5-9(19(22,23)24)6-13(25-8)27-14(15(28)16(29)18(27)31)17(30)26(2)10-3-4-12(21)11(20)7-10/h3-7,14-16,28-29H,1-2H3/t14-,15-,16-/m0/s1

 

Attribute
[Chem Name]	(2S,3S,4S)-N-(3-chloro-4-fluorophenyl)-3,4-dihydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-5-oxopyrrolidine-2-carboxamide
[Synonym]	ART812
[CAS No.]	2607138-82-7
[MDL No.]	MFCD34602688
[Formula]	C19H16ClF4N3O4
[Molecular]	461.79
[Form]	Solid Powder
[Storage]	Inert atmosphere. Store in freezer, under -20°C

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