SML1321

ETP-46464

≥98% (HPLC)

• Synonym(s): 2-Methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile, 4-[4-(1-Isocyano-1-methyl-ethyl)-phenyl]-6-quinolin-3-yl-1,4-dihydro-2-oxa-4,9-diaza-phenanthren-3-one, ATRi
• Empirical Formula (Hill Notation): C₃₀H₂₂N₄O₂
• CAS Number: 1345675-02-6
• Molecular Weight: 470.52
• MDL number: MFCD23160051
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825784
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to light brown
• solubility: DMSO: 2 mg/mL, clear (warmed)
• storage temp.: −20°C
• SMILES string: CC(C)(C#N)C(C=C1)=CC=C1N(C2=C(CO3)C=NC(C2=C4)=CC=C4C5=CC6=C(C=CC=C6)N=C5)C3=O
• InChI: 1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3
• InChI key: DPLMXAYKJZOTKO-UHFFFAOYSA-N

Description

Biochem/physiol Actions

ETP-46464 is a potent and selective inhibitor of the DNA damage response kinase Ataxia telangiectasia-mutated (ATM) - and Rad3-related (ATR) with an IC₅₀ of 25 nM. ETP-46464 shows moderate activity against PI3K and is a potent inhibitor of mTor, but is selective for ATR versus ATM and DNA -dependent protein kinase (DNA -PKcs) even at high doses. ETP-46464 inhibited phosphorylation of Chk1, the downstream kinase of ATR, but did not affect ionizing radiation–induced γH2AX formation, which is jointly controlled by ATM and DNA-PKc.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable