BI-9321 trihydrochloride

• CAT Number: I017235
• CAS Number: 2387510-87-2
• Molecular Formula: C22H24Cl3FN4
• Molecular Weight: 469.81
• Purity: ≥95%
• Synonyms: [4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methanamine;trihydrochloride
• InChI: InChI=1S/C22H21FN4.3ClH/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19;;;/h4-10,12H,11,24H2,1-3H3;3*1H
• InChIKey: DCDXMBVQCRHZMW-UHFFFAOYSA-N
• SMILES: CC1=CC(=CC(=C1C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C)CN.Cl.Cl.Cl

BI-9321 trihydrochloride is a potent, selective and cellular active nuclear receptor-binding SET domain 3 (NSD3)-PWWP1 domain antagonist with a Kd value of 166 nM. BI-9321 trihydrochloride is inactive against NSD2-PWWP1 and NSD3-PWWP2. BI-9321 trihydrochloride specifically disrupts histone interactions of the NSD3-PWWP1 domain with an IC50 of 1.2 μM in U2OS cells[1].
BI-9321 trihydrochloride is targeting the methyl-lysine binding site of the PWWP1 domain with sub-micromolar in vitro activity and cellular target engagement at 1 µM. As a single agent, BI-9321 trihydrochloride downregulates Myc messenger RNA expression and reduces proliferation in MOLM-13 cells[1].

Reference

[1]. Böttcher J, et al. Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat Chem Biol. 2019 Aug;15(8):822-829.
 [Content Brief]