INY-03-041 trihydrochloride

• CAT Number: I042393
• Molecular Formula: C44H59Cl4N7O5
• Molecular Weight: 907.80
• Purity: ≥95%
• Synonyms: 3-[7-[10-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]decyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;trihydrochloride
• InChI: InChI=1S/C44H56ClN7O5.3ClH/c1-29-25-37(53)40-39(29)41(48-28-47-40)50-21-23-51(24-22-50)43(56)34(31-14-16-32(45)17-15-31)26-46-20-9-7-5-3-2-4-6-8-11-30-12-10-13-33-35(30)27-52(44(33)57)36-18-19-38(54)49-42(36)55;;;/h10,12-17,28-29,34,36-37,46,53H,2-9,11,18-27H2,1H3,(H,49,54,55);3*1H/t29-,34-,36?,37-;;;/m1.../s1
• InChIKey: CIUCPYHEIZXRGR-LMSABIMISA-N
• SMILES: CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNCCCCCCCCCCC4=C5CN(C(=O)C5=CC=C4)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)O.Cl.Cl.Cl

INY-03-041 trihydrochloride (Cat No.: I042393) is a trihydrochloride salt form of a proteolysis-targeting chimera (PROTAC) designed to selectively degrade BRD4, a member of the BET (bromodomain and extra-terminal) protein family involved in transcriptional regulation and cancer progression. By recruiting an E3 ubiquitin ligase to BRD4, INY-03-041 facilitates its ubiquitination and proteasomal degradation. This compound is used in cancer and epigenetics research to investigate BET protein function and develop novel therapies aimed at targeting undruggable proteins through targeted protein degradation mechanisms.

Reference

[1]. You I, et al. Discovery of an AKT Degrader with Prolonged Inhibition of Downstream Signaling. Cell Chem Biol. 2020 Jan 16;27(1):66-73.e7.
[Content Brief]

[2]. Maira SM, et al. Identification and characterization of NVP-BKM120, an orally available pan-class I PI3-kinase inhibitor. Mol Cancer Ther. 2012 Feb;11(2):317-28.
[Content Brief]