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My Cart> Small Molecule Compounds > Inhibitors & Antagonists & Agonists > Epigenetics > AZ505 ditrifluoroacetateCAS：1035227-44-1
Molecular Formula：C33H40Cl2F6N4O8
Molecular Weight：805.59
Storage：Powder:2-8℃，2 years;Insolvent(Mother Liquid):-20℃，6 months;-80℃，1 year
Purity：≥98%
Appearance：White to light yellow Solid
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| CAS | 1035227-44-1 |
| Name | AZ505 ditrifluoroacetate |
| Molecular Formula | C33H40Cl2F6N4O8 |
| Molecular Weight | 805.59 |
| Solubility | Soluble in DMSO ≥10mg/mL(Need ultrasonic) |
| Purity | ≥98% |
| Appearance | White to light yellow Solid |
| Storage | Powder:2-8℃，2 years;Insolvent(Mother Liquid):-20℃，6 months;-80℃，1 year |
| SMILES | C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O |
| InChIKey | LTZSXVZCRINTGV-UHFFFAOYSA-N |
| InChI | InChI=1S/C29H38Cl2N4O4.2C2HF3O2/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;2*3-2(4，5)1(6)7/h6-9，18，22，32-33，36H，1-5，10-17，19H2，(H，34，37);2*(H，6，7) |
| PubChem CID | 78357790 |
| Target Point | SMYD2 |
| Passage | Epigenetics |
| Background | AZ505 ditrifluoroacetate is a potent and selective SMYD2 inhibitor with IC50 of 0.12 μM.[1] |
| Data Literature Source | SMYD2 is expressed in insect cells and purified. AlphaScreen technology is used to screen our chemical library for small molecule inhibitors of SMYD2. Methylation (12 μL) reactions are carried out in TDT buffer (50 mM Tris-HCl [pH 9.0]， 2 mM DTT， and 0.01% Tween 20) at room temperature using 1.25 nM SMYD2 protein， 200 nM SAM， and 100 nM biotinylated p53 peptide substrate (Biotin-aminohexanoyl-GSRAHSSHLKSKKGQSTSRH) in low volume 384-well plates. Following a 75 min incubation period， reactions are quenched by the addition of 5 μL of detection solution (20 mM HEPES [pH 7.4]， 1.7 mg/mL BSA， 340 mM NaCl， 680 μM SAH， 0.04 mg/mL Streptavidin-coated AlphaScreen donor， and Protein A-coated acceptor beads)， and 1 nM of a custom p53K370me1 polyclonal antibody. Reaction plates are incubated overnight in the dark at room temperature， and read using an Envision 2101 Multi-label Reader. Compounds showing >50% inhibition of SMYD2 are nominated for concentration dose-response determination， and are also subjected to an artifact assay. Seven compound concentrations are selected beginning at 30 μM with six half-log dilution steps. The artifact assay conditions are identical to those in the SMYD2 enzymatic activity assay， except for the absence of SMYD2 protein and the presence of 1 nM methylated p53 peptide. IC50 values are calculated from dose-response data using in-house software[2]. |
| Unit | Bottle |
| Specification | 1mg |
Remark：These protocols are for reference only. Solarbio does not independently validate these methods.
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