For research use only. Not for therapeutic Use.
CD73-IN-4 is a potent and selective methylenephosphonic acid CD73 inhibitor, with an IC50 of 2.6 nM for human CD73. CD73-IN-4 is potential for the research of cancer immunology[1].
CD73-IN-4 (compound 4a) exhibits excellent potency against soluble hCD73 (IC50 = 0.86 nM) and soluble mouse CD73 (mCD73; IC50 = 3.0 nM), CHO cells overexpressing hCD73 (IC50 = 2.6 nM) or mCD73 (IC50 = 13 nM), and the human ovary cancer cell line SKOV-3 (IC50 = 0.55 nM). It exhibits excellent selectivity (IC50 > 10 000 nM) against CD39, A2aR, and NTPDase2, 3, and 8[1].
| Catalog Number | I045429 |
| CAS Number | 2216764-29-1 |
| Synonyms | [(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid |
| Molecular Formula | C16H23ClN5O7P |
| Purity | ≥95% |
| InChI | InChI=1S/C16H23ClN5O7P/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(29-15)6-28-7-30(25,26)27/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,19,20,21)(H2,25,26,27)/t10-,11-,12-,15-/m1/s1 |
| InChIKey | IVHVIBKVJIZKOC-RTWAVKEYSA-N |
| SMILES | C1CCC(C1)NC2=C3C=NN(C3=NC(=N2)Cl)C4C(C(C(O4)COCP(=O)(O)O)O)O |
| Reference | [1]. Ehesan U Sharif , et al. Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors. J Med Chem. 2021 Jan 5. |
