AZ505 is a potent selective inhibitor of SMYD2 with an IC50 of 0.12 μM.

 

Brand: BCM

 

Target: Histone Methyltransferase

 

Signaling Pathways: Chromatin/Epigenetic

 

In Vivo: The IC50 of AZ505 for SMYD2 is 0.12 μM, which is >600-fold greater than the IC50s of AZ505 for other histone methyltransferases, such as SMYD3 (IC50>83.3 μM), DOT1L (IC50>83.3 μM) and EZH2 (IC50>83.3 μM) . AZ505 fails to inhibit the enzymatic activities of a panel of protein lysine methyltransferases. AZ505 is nominated for an ITC binding study with Kd of 0.5 μM. In contrast, the calculated Kd for the p53 substrate peptide is 3.7 μM.

 

Boiling Point: 782.5±60.0 °C(Predicted)

 

pKa: 8.59±0.20(Predicted)

 

Solubility: Soluble in DMSO; soluble in Ethanol. Insoluble in Water.

 

Isomeric SMILES: C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl  

 

InChIKey: LIBVHXXKHSODII-UHFFFAOYSA-N  

 

InChI: InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37)  

 

Attribute
[Chem Name]	N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide
[Synonym]	AZ505; AZ-505
[CAS No.]	1035227-43-0
[MDL No.]	MFCD28044083
[Formula]	C29H38Cl2N4O4
[Molecular]	577.54
[Form]	Solid Powder
[Storage]	Keep in dark place. Inert atmosphere. Store in freezer, under -20°C

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