For research use only. Not for therapeutic Use.
DB1113 (Example 24) is a bifunctional compound targeted protein degradation of kinases. DB1113 degrades ABL1, ABL2, BLK, CDK11B, CDK4, CSK, EPHA3, FER, GAK, LIMK1, MAP3K20, MAP4K1, MAP4K2, MAP4K3, MAP4K5, MAPK14, MAPK7, MAPK8, MAPK9, MAPKAPK2, MAPKAPK3, NLK, PDIK1L, PTK2B, RIPK1, RPS6KA1, RPS6KA3, SIK2, SIK3, STK35, TNK2, and ULK1. DB1113 can be used for research of disease or disorder mediated by aberrant kinase activity[1].
| Catalog Number | I042903 |
| CAS Number | 2769753-53-7 |
| Synonyms | (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[5-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]pyridin-2-yl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide |
| Molecular Formula | C59H68F3N13O6S |
| Purity | ≥95% |
| InChI | InChI=1S/C59H68F3N13O6S/c1-35-14-19-43(67-53(78)40-11-10-12-42(27-40)59(60,61)62)28-46(35)75-32-41-30-64-56(70-52(41)71(7)57(75)81)68-44-20-21-48(63-31-44)73-25-23-72(24-26-73)22-9-8-13-49(77)69-51(58(4,5)6)55(80)74-33-45(76)29-47(74)54(79)66-36(2)38-15-17-39(18-16-38)50-37(3)65-34-82-50/h10-12,14-21,27-28,30-31,34,36,45,47,51,76H,8-9,13,22-26,29,32-33H2,1-7H3,(H,66,79)(H,67,78)(H,69,77)(H,64,68,70)/t36-,45+,47-,51+/m0/s1 |
| InChIKey | BTJSSCWASCIGSE-OWEXABFXSA-N |
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)N6CCN(CC6)CCCCC(=O)NC(C(=O)N7CC(CC7C(=O)NC(C)C8=CC=C(C=C8)C9=C(N=CS9)C)O)C(C)(C)C |
| Reference | [1]. Gray Nathanael S, et al. Bifunctional compounds for targeted protein degradation of kinases: World Intellectual Property Organization, WO2022093742[P]. 2022-05-05. |
