I-BRD9

• CAT Number: I002236
• CAS Number: 1714146-59-4
• Molecular Formula: C22H22F3N3O3S2
• Molecular Weight: 497.55
• Purity: ≥95%
• Synonyms: N’-(1,1-dioxothian-4-yl)-5-ethyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
• InChI: InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
• InChIKey: WRUWGLUCNBMGPS-UHFFFAOYSA-N
• SMILES: CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F

I-BRD9 is a selective cellular chemical probe of bromodomain-containing protein 9 (BRD9) with pIC50 value of 7.3 μM. I-BRD9 has high selectivity for bromodomain and extra terminal domain (BET) family and highly homologous bromodomain-containing protein 7 (BRD7). I-BRD9 can be used to identify genes regulated by BRD9 in Kasumi-1 cells involved in oncology and immune response pathways[1].
I-BRD9 (10 μM, 6 h) has a regulation role in cancer and immunology pathways[1].
I-BRD9 (10 μM) has high BRD9 affinity and excellent broader bromodomain selectivity[1].
I-BRD9 (10 μM) has affinity for BRD9 (TR-FRET), BRD4 BD1 (TR-FRET) and BRD9 NanoBRET with pIC50 values of 7.3 μM, 5.3 μM and 6.8 μM[1].
I-BRD9 (10 μM) has high aqueous solubility (CLND) with 359 μM[1].
I-BRD9 (10 μM) displays >625 fold selectivity in binding with endogenous BRD9 against BET family member BRD3 in HUT-78 cell lysate[1].

Reference

[1]. Natalie H Theodoulou, et al. Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J Med Chem
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