AB-680

AB-680 is an inhibitor of ecto-5'-nucleotidase, also known as CD73 (IC50 = 0.043 nM in CHO cells expressing the human enzyme). It is selective for ecto-5'-nucleotidase over nucleoside triphosphate diphosphorylase 1 (NTPDase 1), NTPDase 2, NTPDase 3, and NTPDase 8 (IC50s = >10 µM for all). AB-680 also inhibits ecto-5'-nucleotidase activity in isolated human and mouse CD8+ T cells and isolated human peripheral blood mononuclear cells (PBMCs, IC50s = 0.008, 0.66, and 0.011 nM, respectively). It reverses AMP-induced decreases in the proliferation of, and IFN-gamma and granzyme B secretion by, isolated human CD4+ and CD8+ T cells when used at a concentration of 200 nM. AB-680 (10 mg/kg) reduces tumor volume in a B16/F10 murine melanoma model alone and in combination with an antibody targeting programmed cell death protein 1 (PD-1).Formal Name: 6-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-[5-O-[hydroxy(phosphonomethyl)phosphinyl]-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-b]pyridin-4-amine. CAS Number: 2105904-82-1. Synonyms: Quemliclustat. Molecular Formula: C20H24ClFN4O9P2. Formula Weight: 580.8. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMSO: Soluble. lambdamax: 271, 306 nm. SMILES: O=P(O)(O)CP(OC[C@H]1O[C@](N2C3=NC(Cl)=CC(N[C@@H](C)C4=CC=CC=C4F)=C3C=N2)([H])[C@H](O)[C@@H]1O)(O)=O. InChi Code: InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1. InChi Key: MFYLCAMJNGIULC-KCVUFLITSA-N.