For research use only. Not for therapeutic Use.
SHP836 is a SHP2 allosteric inhibitor, with an IC50 of 12 μM for the full length SHP2[1].
SHP836 stabilizes the active conformation of SHP2, in which the catalytic site is blocked and no longer accessible to substrate[1].
| Catalog Number | I017633 |
| CAS Number | 1957276-35-5 |
| Synonyms | 5-(2,3-dichlorophenyl)-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine |
| Molecular Formula | C16H19Cl2N5 |
| Purity | ≥95% |
| InChI | InChI=1S/C16H19Cl2N5/c1-9-7-23(8-10(2)21-9)16-20-6-12(15(19)22-16)11-4-3-5-13(17)14(11)18/h3-6,9-10,21H,7-8H2,1-2H3,(H2,19,20,22)/t9-,10+ |
| InChIKey | SKFRRNOLFFQBQU-AOOOYVTPSA-N |
| SMILES | CC1CN(CC(N1)C)C2=NC=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl |
| Reference | [1]. Liu WS, et al. Structure based design of selective SHP2 inhibitors by De novo design, synthesis and biological evaluation. J Comput Aided Mol Des. 2019 Aug;33(8):759-774. [2]. Garcia Fortanet J, et al. Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor. J Med Chem. 2016 Sep 8;59(17):7773-82. |
