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2126819-55-2

2126819-55-2 Structure

2126819-55-2 Structure
IdentificationBack Directory
[Name]

PROTAC BRD4-binding moiety 4
[CAS]

2126819-55-2
[Synonyms]

Desmethyl-QCA276
PROTAC BRD4-binding moiety 4
4H,6H-Thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, 9-methyl-3-(phenylmethyl)-2-[2-(1H-pyrazol-4-yl)ethynyl]-
[Molecular Formula]

C21H17N5OS
[MDL Number]

MFCD32200886
[MOL File]

2126819-55-2.mol
[Molecular Weight]

387.46
Chemical PropertiesBack Directory
[Boiling point ]

741.5±70.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[pka]

13.31±0.50(Predicted)
Hazard InformationBack Directory
[Uses]

Desmethyl-QCA276 (PROTAC BRD4-binding moiety 4), the QCA276-based moiety, binds to cereblon ligand via a linker to form PROTAC to degrade BET. QCA276 is a BET inhibitor with an IC50 of 10 nM, and with a Ki of 2.3 nM[1]. Desmethyl-QCA276 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
[References]

[1] Qin C, et al. Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression. J Med Chem. 2018 Aug 9;61(15):6685-6704. DOI:10.1021/acs.jmedchem.8b00506
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