PROTAC BET-binding moiety 1

• CAT Number: I019420
• CAS Number: 2093387-77-8
• Molecular Formula: C25H25N7O4
• Molecular Weight: 487.51
• Purity: ≥95%
• Synonyms: 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylic acid
• InChI: InChI=1S/C25H25N7O4/c1-5-32-19(10-16(30-32)13-6-7-13)27-23-21-14-9-18(35-4)15(20-11(2)31-36-12(20)3)8-17(14)26-22(21)28-24(29-23)25(33)34/h8-10,13H,5-7H2,1-4H3,(H,33,34)(H2,26,27,28,29)
• InChIKey: DSICVZUZCUHARI-UHFFFAOYSA-N
• SMILES: CCN1C(=CC(=N1)C2CC2)NC3=NC(=NC4=C3C5=CC(=C(C=C5N4)C6=C(ON=C6C)C)OC)C(=O)O

PROTAC BET-binding moiety 1 is a key intermediate for the synthesis of high-affinity BET inhibitors[1].
The bromodomain and extra-terminal (BET) family proteins, consisting of BRD2, BRD3, BRD4, and testis-specific BRDT members, are epigenetic “readers” and play a key role in the regulation of gene transcription. BET proteins are considered to be attractive therapeutic targets for cancer and other human diseases[1].

Reference

[1]. Zhou B, et al. Discovery of a Small-Molecule Degrader of Bromodomain and Extra-Terminal (BET) Proteins with Picomolar Cellular Potencies and Capable of Achieving Tumor Regression. J Med Chem. 2018 Jan 25;61(2):462-481.
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