For research use only. Not for therapeutic Use.
PROTAC BRD4 Degrader-24 (compound 5), a PROTAC-linker Conjugate for PAC, comprises the chimeric BET degrader GNE-987 and disulfide-containing linker[1].
| Catalog Number | I046039 |
| CAS Number | 2417370-39-7 |
| Synonyms | [(3R,5S)-1-[(2S)-2-[11-[[8-(3,5-difluoropyridin-2-yl)-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carbonyl]amino]undecanoylamino]-3,3-dimethylbutanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl] (2-methyl-2-methylsulfonylsulfanylpropyl) carbonate |
| Molecular Formula | C62H77F2N9O12S4 |
| Purity | ≥95% |
| InChI | InChI=1S/C62H77F2N9O12S4/c1-37-53(86-36-69-37)39-21-19-38(20-22-39)28-68-57(76)49-26-43(85-60(79)84-35-62(5,6)87-89(9,82)83)32-73(49)59(78)54(61(2,3)4)70-50(74)18-16-14-12-10-11-13-15-17-23-65-56(75)44-27-48-45(24-40(44)34-88(8,80)81)46-33-71(7)58(77)52-51(46)41(29-66-52)31-72(48)55-47(64)25-42(63)30-67-55/h19-22,24-25,27,29-30,33,36,43,49,54,66H,10-18,23,26,28,31-32,34-35H2,1-9H3,(H,65,75)(H,68,76)(H,70,74)/t43-,49+,54-/m1/s1 |
| InChIKey | SCOQCGGMHFUNNF-FDTYQFAOSA-N |
| SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)C4=CC5=C(C=C4CS(=O)(=O)C)C6=CN(C(=O)C7=C6C(=CN7)CN5C8=C(C=C(C=N8)F)F)C)OC(=O)OCC(C)(C)SS(=O)(=O)C |
| Reference | [1]. Pillow TH, et al. Antibody Conjugation of a Chimeric BET Degrader Enables in vivo Activity. ChemMedChem. 2019 Oct 31. |
