For research use only, not for therapeutic use.
S116836（Cat No.:I035855）is a highly selective small-molecule inhibitor of the programmed cell death protein 1 (PD-1)/programmed death-ligand 1 (PD-L1) interaction. By blocking this immune checkpoint pathway, S116836 enhances T-cell activation and immune responses against tumors, making it a valuable tool for cancer immunotherapy research. Its mechanism is particularly relevant in the study of immune evasion by cancer cells, where PD-1/PD-L1 signaling suppresses the immune system. S116836 offers promising potential in the development of therapies targeting immune checkpoints to improve cancer treatment outcomes.
| Catalog Number | I035855 |
| CAS Number | 1257628-57-1 |
| Synonyms | S116836; S-116836; S 116836; |
| Molecular Formula | C27H21F3N6O |
| Purity | 98% |
| Solubility | Soluble in DMSO |
| Appearance | Solid powder |
| Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
| IUPAC Name | 3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide |
| InChI | InChI=1S/C27H21F3N6O/c1-17-2-4-20(10-19(17)5-3-18-14-32-26(33-15-18)35-22-6-7-22)25(37)34-23-11-21(27(28,29)30)12-24(13-23)36-9-8-31-16-36/h2,4,8-16,22H,6-7H2,1H3,(H,34,37)(H,32,33,35) |
| InChIKey | DHNAWOULRSDMRU-UHFFFAOYSA-N |
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=CN=C3)C#CC4=CN=C(N=C4)NC5CC5 |
| Reference | 1: Shen Y, Ren X, Ding K, Zhang Z, Wang D, Pan J. Antitumor activity of S116836, a novel tyrosine kinase inhibitor, against imatinib-resistant FIP1L1-PDGFRα-expressing cells. Oncotarget. 2014 Nov 15;5(21):10407-20. PubMed PMID: 25431951; PubMed Central PMCID: PMC4279382. |
