CAS
253328-68-6 Purity
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253328-68-6 Purity
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IBG1
CAS
2684292-71-3
Catalog Number
ACM-MG-2684292713
Category
Molecular Glues
Molecular Weight
822.95
Molecular Formula
C44H38N8O5S2
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Specification
Description
IBG1 is a molecular glue degrader targeting BRD2 and BRD4 (DC50: 0.15 nM). IBG1 has no significant degradation effect on its paralogue BRD3.
Synonyms
PROTAC BRD4 Degrader-19
IUPAC Name
methyl 2-[(9S)-7-[4-[4-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
SMILES
CC1=C(C)SC2=C1C(C3=CC=C(C4=CC=C(C=C4)C(NCC5=CC=C(C=C5)S(NC6=C7C(C(C#N)=CN7)=C(C=C6)C)(=O)=O)=O)C=C3)=N[C@@H](CC(OC)=O)C8=NN=C(C)N28
InChI
InChI=1S/C44H38N8O5S2/c1-24-6-19-35(41-38(24)33(21-45)23-46-41)51-59(55,56)34-17-7-28(8-18-34)22-47-43(54)32-15-11-30(12-16-32)29-9-13-31(14-10-29)40-39-25(2)26(3)58-44(39)52-27(4)49-50-42(52)36(48-40)20-37(53)57-5/h6-19,23,36,46,51H,20,22H2,1-5H3,(H,47,54)/t36-/m0/s1
InChI Key
HHSZFSOLNUHGMP-BHVANESWSA-N
Appearance
White to yellow solid
Shipping
Room temperature; may vary elsewhere.
Storage Conditions
-20 °C, protect from light, stored under nitrogen
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