For research use only. Not for therapeutic Use.
PF-06821497 is a potent and selective EZH2 inhibitor.
| Catalog Number | I034502 |
| CAS Number | 1844849-11-1 |
| Synonyms | PF-06821497; PF06821497; PF 06821497; PF-6821497; PF6821497; PF 6821497. |
| Molecular Formula | C22H24Cl2N2O5 |
| 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 | (S)-5,8-dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one |
| InChI | InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m0/s1 |
| InChIKey | RXCVUHMIWHRLDF-FQEVSTJZSA-N |
| SMILES | COC1=C(CN2CCC(C(Cl)=CC([C@@H](OC)C3COC3)=C4Cl)=C4C2=O)C(NC(C)=C1)=O |
| Reference | 1: Kung PP, Bingham P, Brooun A, Collins M, Deng YL, Dinh D, Fan C, Gajiwala KS, Grantner R, Gukasyan HJ, Hu W, Huang B, Kania R, Kephart SE, Krivacic C, Kumpf RA, Khamphavong P, Kraus M, Liu W, Maegley KA, Nguyen L, Ren S, Richter D, Rollins RA, Sach N, Sharma S, Sherrill J, Spangler J, Stewart AE, Sutton S, Uryu S, Verhelle D, Wang H, Wang S, Wythes M, Xin S, Yamazaki S, Zhu H, Zhu J, Zehnder L, Edwards M. Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J Med Chem. 2017 Dec 27. doi: 10.1021/acs.jmedchem.7b01375. [Epub ahead of print] PubMed PMID: 29211475. |
