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PROTAC BRD4 Degrader-16

CAT: 0804-HY-143327Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-143327Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC BRD4 Degrader-16 is a potent PROTAC BRD4 Degrader, with IC50 values of 34.58 nM (BRD4 (BD1) ) and 40.23 nM (BRD4 (BD2) ) . PROTAC BRD4 Degrader-16 ignificantly attenuates G2/M progression associated Cyclin B1 expression. PROTAC BRD4 Degrader-16 significantly induces apoptosis in MV-4-11 cells[1].
CAS Number
2585561-36-8
UNSPSC
12352005
Target
Apoptosis; 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-16.html
Solubility
10 mM in DMSO
Smiles
CN1C=C(C2=C(C1=O)NC(C(NCC3=CC=C(C=C3)C(NCCCCNC4=C5C(N(C(C5=CC=C4)=O)C6CCC(NC6=O)=O)=O)=O)=O)=C2)C7=CC=CC=C7OC8=CC=CC=C8
Molecular Formula
C46H41N7O8
Molecular Weight
819.86
References & Citations
[1]Chen J, et al. Adjusted degradation of BRD4 S and BRD4 L based on fine structural modifications of the pyrrolopyridone scaffold. Eur J Med Chem. 2022 Jun 5;236:114259.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PROTAC BRD4 Degrader-16
CAS Number2585561-36-8
PubChem CID155431176
IUPAC NameN-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Molecular FormulaC46H41N7O8
Molecular Weight819.9
XLogP4.9
Topological Polar Surface Area199
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count61
Formal Charge0
Complexity1710
SMILES
CN1C=C(C2=C(C1=O)NC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=CC=C7OC8=CC=CC=C8
InChI
InChI=1S/C46H41N7O8/c1-52-26-33(30-12-5-6-15-37(30)61-29-10-3-2-4-11-29)32-24-35(50-40(32)46(52)60)42(56)49-25-27-16-18-28(19-17-27)41(55)48-23-8-7-22-47-34-14-9-13-31-39(34)45(59)53(44(31)58)36-20-21-38(54)51-43(36)57/h2-6,9-19,24,26,36,47,50H,7-8,20-23,25H2,1H3,(H,48,55)(H,49,56)(H,51,54,57)
InChIKey
AQPUUPNSVBDCBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC BRD4 Degrader-16
CAS: 2585561-36-8
CID: 155431176
Formula: C46H41N7O8
MW: 819.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight819.9
XLogP34.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass819.30166129
Monoisotopic Mass819.30166129
Topological Polar Surface Area199 Ų
Heavy Atom Count61
Formal Charge0
Complexity1710
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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