AB-680 ammonium salt
- Quemliclustat ammonium salt
Axon 3718
- Parent CAS: 2105904-82-1
- Optical Purity: 0.99
- Soluble in water and DMSO
- MF: C20H30ClFN6O9P2
- MW: 614.89
Description
AB-680 (Quemliclustat) is a highly potent and selective inhibitor of CD73 (Ki hCD73 = 4.9 pM on human CD8+ T-cells) and an immune-oncology modulator, highly selective against the closely-related CD39 (10,000-fold selectivity), and a large panel of unrelated enzymes, receptors, and ion channels. It potently reverses AMP and ADO-mediated suppression of immune function in vitro, robustly restores, in the presence high AMP concentration, CD25 expression, IFN-γ production and proliferation of human CD4+ and CD8+ T-cells, and reverses ADO-mediated immune suppression.
More Information
| Parent CAS No. | 2105904-82-1 |
|---|---|
| Chemical Name | ((((2R,3S,4R,5R)-5-(6-chloro-4-((S)-1-(2-fluorophenyl)ethylamino)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)methylphosphonic acid ammonium salt |
| extra_info | Sold in collaboration with Chemietek |
| SMILES | C12N([C@@H]3O[C@H](COP(O)(=O)CP(O)(=O)O)[C@@H](O)[C@H]3O)N=CC1=C(N[C@@H](C)C1C(F)=CC=CC=1)C=C(Cl)N=2.N.N |&1:2,4,15,17,24,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C20H24ClFN4O9P2.2H3N/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);2*1H3/t10-,15+,17+,18+,20+;;/m0../s1 |
| InChiKey | VVDIOJBTSCUIEW-AJLCLCFCSA-N |
| CID | 165436122 |
| Short Description | CD73 inhibitor |
