A2AAR/HDAC-IN-1

Modify Date: 2024-04-03 19:42:58

A2AAR/HDAC-IN-1 structure	Common Name	A2AAR/HDAC-IN-1
	CAS Number	2767560-51-8	Molecular Weight	439.47
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₂₁N₇O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Use of A2AAR/HDAC-IN-1

A2AAR/HDAC-IN-1 (compound 14c) is an orally active, potent and balanced A2AAR/HDAC dual inhibitor, with a Ki of 163.5 nM for A2AAR and an IC50 of 145.3 nM for HDAC1. A2AAR/HDAC-IN-1 shows anticancer activity[1].

Name	A2AAR/HDAC-IN-1

Description	A2AAR/HDAC-IN-1 (compound 14c) is an orally active, potent and balanced A2AAR/HDAC dual inhibitor, with a Ki of 163.5 nM for A2AAR and an IC50 of 145.3 nM for HDAC1. A2AAR/HDAC-IN-1 shows anticancer activity[1].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Cell Cycle/DNA Damage >> HDAC Signaling Pathways >> Epigenetics >> HDAC Signaling Pathways >> GPCR/G Protein >> Adenosine Receptor
Target	A2AR:163.5 ± 14 nM (Ki) A1AR:503.3 ± 14 nM (Ki) hA2B:>10000 nM (Ki) Adenosine A3 receptor:>10000 nM (Ki) HDAC1:145.3 ± 12 nM (IC50) HDAC2:240.2 ± 19 nM (IC50) HDAC3:443.5 ± 27 nM (IC50) HDAC6:>10000 nM (IC50) HDAC8:>10000 nM (IC50)
In Vitro	A2AAR/HDAC-IN-1 (compound 14c) (0-100 μM, 72 h) shows anti-proliferative activities against colon cancer cell lines, CT26 and MC38[1]. A2AAR/HDAC-IN-1 (0-5 μM, 24 h) increases histone acetylation[1]. A2AAR/HDAC-IN-1 shows moderate selectivity against A1AR (3-fold) and no significant binding for A2BAR and A3AR[1]. Cell Proliferation Assay[1] Cell Line: Colon cancer cell lines (CT26 and MC38) Concentration: 0-100 μM Incubation Time: 72 h Result: Displayed good cytotoxicity in CT26 and MC38 cells, with GI50 values of 0.29 ± 0.03 μM and 0.38 ± 0.03 μM, respectively. Western Blot Analysis[1] Cell Line: MC38 mouse colon cancer cells Concentration: 0, 0.1, 1, and 5 μM Incubation Time: 24 h Result: Increased histone H3 and H4 acetylation in a concentration-dependent manner.
References	[1]. Zhang J, et al. Dual-acting antitumor agents targeting the A2A adenosine receptor and histone deacetylases: Design and synthesis of 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine derivatives. Eur J Med Chem. 2022 Jun 5;236:114326.

Molecular Formula	C₂₄H₂₁N₇O₂
Molecular Weight	439.47