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PROTAC BRD4 Degrader-6

CAT: 0804-HY-131203Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-131203Size:1 Each
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Description
PROTAC BRD4 Degrader-6 (compound 32a) is a potent small-molecule BRD4PROTAC degrader with IC50 value of 2.7 nM for BRD4 BD1. PROTAC BRD4 Degrader-6 potently degrades BRD4 protein and inhibits the expression of c-Myc. PROTAC BRD4 Degrader-6 inhibits the proliferation of pancreatic cancer cell line BxPC3 and induces apoptosis. PROTAC BRD4 Degrader-6 can be used for human pancreatic cancer research (Pink: Mivebresib ; Black: linker, Azido-PEG1-CH2CO2H (HY-108369) ; Blue: Lenalidomide (HY-A0003) ).
CAS Number
2410947-56-5
UNSPSC
12352005
Target
Apoptosis; Caspase; c-Myc; Epigenetic Reader Domain; PROTACs
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-brd4-degrader-6.html
Solubility
10 mM in DMSO
Smiles
O=C(C(N1)=CC(C(C2=CC(NS(=O)(CC)=O)=CC=C2OC3=CC=C(F)C=C3F)=CN4C)=C1C4=O)NCC5=CN(CCOCC(NC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)N=N5
Molecular Formula
C43H40F2N10O10S
Molecular Weight
926.90
References & Citations
[1]Zhang J, et al. Development of small-molecule BRD4 degraders based on pyrrolopyridone derivative. Bioorg Chem. 2020 Jun;99:103817.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
BRD4; Caspase 3

Chemical Information

PROTAC BRD4 Degrader-6
CAS Number2410947-56-5
PubChem CID163214304
IUPAC Name4-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-N-[[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethyl]triazol-4-yl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Molecular FormulaC43H40F2N10O10S
Molecular Weight926.9
XLogP0.7
Topological Polar Surface Area265
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Heavy Atom Count66
Formal Charge0
Complexity2000
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=C(N4)C(=O)NCC5=CN(N=N5)CCOCC(=O)NC6=CC=CC7=C6CN(C7=O)C8CCC(=O)NC8=O)C
InChI
InChI=1S/C43H40F2N10O10S/c1-3-66(62,63)51-24-8-11-35(65-36-10-7-23(44)15-31(36)45)27(16-24)29-20-53(2)43(61)39-28(29)17-33(48-39)40(58)46-18-25-19-54(52-50-25)13-14-64-22-38(57)47-32-6-4-5-26-30(32)21-55(42(26)60)34-9-12-37(56)49-41(34)59/h4-8,10-11,15-17,19-20,34,48,51H,3,9,12-14,18,21-22H2,1-2H3,(H,46,58)(H,47,57)(H,49,56,59)
InChIKey
OCIQBTCUSJZXTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC BRD4 Degrader-6
CAS: 2410947-56-5
CID: 163214304
Formula: C43H40F2N10O10S
MW: 926.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight926.9
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Exact Mass926.26176501
Monoisotopic Mass926.26176501
Topological Polar Surface Area265 Ų
Heavy Atom Count66
Formal Charge0
Complexity2000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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