bay-850

InvivoChem Cat #:V4188CAS #:2099142-76-2Purity >=98%

Description: BAY-850 is a novel, potent and isoform selective inhibitor of ATPase family AAA domain-containing protein 2 (ATAD2) with an IC50 of 166 nM. ATAD2 (ANCCA) is an epigenetic regulator and transcriptional cofactor, whose overexpression has been linked to the progress of various cancer types. BAY-850 was identified from a DNA-encoded library screen. It specifically induces ATAD2 bromodomain dimerization and prevents interactions with acetylated histones in vitro, as well as with chromatin in cells. These features qualify BAY-850 as a chemical probe to explore ATAD2 biology.

Description

References: ACS Chem Biol. 2017 Nov 17; 12(11):2730-2736.

References:

Related CAS#: 2099142-77-3 (isomer)

-20C for 3 years in powder form

Synonym: BAY-850; BAY850; BAY 850
IUPAC/Chemical Name: N-[(2R)-1-[(4-Aminocyclohexyl)amino]-3-(4-cyanophenyl)propan-2-yl]-2-chloro-4-methoxy-5-[5-({[(1R)-1-(4-methylphenyl)ethyl]amino}methyl)-2-furyl]benzamide
InChi Key: BSISGUIVBKDTQO-JLXKDNNHSA-N
InChi Code: InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11, 16-17, 19-20, 25, 29-31, 42-43H, 12-15, 18, 22-23, 41H2, 1-3H3, (H, 44, 45)/t25-, 29?, 30?, 31-/m1/s1
SMILES Code: O=C(N[CH](CC1=CC=C(C#N)C=C1)CNC2CCC(N)CC2)C3=CC(C4=CC=C(CN[CH](C5=CC=C(C)C=C5)C)O4)=C(OC)C=C3Cl