For research use only. Not for therapeutic Use.
MS21, a novel degrader of AKT, selectively inhibits the growth of PI3K/PTEN pathway-mutant cancers with wild-type KRAS and BRAF.
| Catalog Number | I045237 |
| CAS Number | 2376137-05-0 |
| Synonyms | 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-[4-[11-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-11-oxoundecanoyl]piperazin-1-yl]propyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide |
| Molecular Formula | C58H79ClN12O6S |
| Purity | ≥95% |
| InChI | InChI=1S/C58H79ClN12O6S/c1-39-50(78-38-65-39)42-16-14-40(15-17-42)35-62-54(75)47-34-44(72)36-71(47)55(76)51(57(2,3)4)67-48(73)12-10-8-6-5-7-9-11-13-49(74)69-32-30-68(31-33-69)27-23-46(41-18-20-43(59)21-19-41)66-56(77)58(60)24-28-70(29-25-58)53-45-22-26-61-52(45)63-37-64-53/h14-22,26,37-38,44,46-47,51,72H,5-13,23-25,27-36,60H2,1-4H3,(H,62,75)(H,66,77)(H,67,73)(H,61,63,64)/t44-,46+,47+,51-/m1/s1 |
| InChIKey | UGJRTGFGCTUIRA-OBGAPNQASA-N |
| SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCC(=O)N4CCN(CC4)CCC(C5=CC=C(C=C5)Cl)NC(=O)C6(CCN(CC6)C7=NC=NC8=C7C=CN8)N)O |
| Reference | [1]. Xu J, et al. AKT Degradation Selectively Inhibits the Growth of PI3K/PTEN Pathway-Mutant Cancers with Wild-Type KRAS and BRAF by Destabilizing Aurora Kinase B. Cancer Discov. 2021 Jul 23. |
