(+)-JQ-1-aldehyde

• CAT Number: I045451
• CAS Number: 2634778-37-1
• Molecular Formula: C19H17ClN4OS
• Molecular Weight: 384.88
• Purity: ≥95%
• Synonyms: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetaldehyde
• InChI: InChI=1S/C19H17ClN4OS/c1-10-11(2)26-19-16(10)17(13-4-6-14(20)7-5-13)21-15(8-9-25)18-23-22-12(3)24(18)19/h4-7,9,15H,8H2,1-3H3/t15-/m0/s1
• InChIKey: YVZIYJGNGNZVCF-HNNXBMFYSA-N
• SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC=O)C4=CC=C(C=C4)Cl)C

(+)-JQ-1-aldehyde (Cat No.: I045451) is an analog of the BET bromodomain inhibitor (+)-JQ1, modified to contain an aldehyde functional group for further chemical conjugation. Like (+)-JQ1, it selectively binds to bromodomains of BET family proteins (BRD2, BRD3, BRD4, and BRDT), disrupting protein–acetyl-lysine interactions and modulating transcription of oncogenes such as MYC. The aldehyde moiety enables covalent attachment to linkers or ligands, making it a valuable intermediate for synthesizing PROTACs (proteolysis-targeting chimeras) and other bifunctional molecules in targeted protein degradation and epigenetic research.

Reference

[1]. James Elliott Bradner, et al. Male contraceptive compositions and methods of use. Patent WO2019199816A1 .