Structure

PLX-3618

CAS
2851986-76-8
Catalog Number
ACM-MG-2851986768
Category
Molecular Glues
Molecular Weight
601.68
Molecular Formula
C32H27N9O2S

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Specification

Description
PLX-3618 is a molecular glue, that degrades BRD4 with DC50 of 12.2 nM. PLX-3618 promotes polyubiquitination and subsequent proteasomal degradation of BRD4 by recruiting of the E3 ligase substrate receptor, DCAF11. PLX-3618 inhibits the proliferation of various cancer cells, induces apoptosis in AML cells. PLX-3618 exhibits antitumor activity against AML in mouse models.
IUPAC Name
N-[3-[4-[(9S)-9-(2-amino-2-oxoethyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-7-yl]phenyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES
O=C(N)C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(C5=CC=CC(NC(C6=C7N(C=CC=N7)N=C6)=O)=C5)C=C4)=N1
InChI
InChI=1S/C32H27N9O2S/c1-17-18(2)44-32-27(17)28(37-25(15-26(33)42)30-39-38-19(3)41(30)32)21-10-8-20(9-11-21)22-6-4-7-23(14-22)36-31(43)24-16-35-40-13-5-12-34-29(24)40/h4-14,16,25H,15H2,1-3H3,(H2,33,42)(H,36,43)/t25-/m0/s1
InChI Key
KGEBVZGNEUJHIO-VWLOTQADSA-N
Appearance
White to off-white solid
Shipping
Generally, shipped at room temperature in continental US; may vary elsewhere.
Storage Conditions
Store at -20 °C

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