ZLD 1039 - ≥98%(HPLC) , CAS No.1826865-46-6

CAS: 1826865-46-6 Cat. No.: Z287041 Molecular Weight: 612.8 PubChem CID: 132517142

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-[Ethyl(tetrahydro-2H-pyran-4-yl)amino]-N-[(2,3,5,6,7,8-hexahydro-1-methyl-3-oxo-4-isoquinolinyl)methyl]-2-methyl-5-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]benzamide | ZLD1039 | ZLD-1039

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-[Ethyl(tetrahydro-2H-pyran-4-yl)amino]-N-[(2, 3, 5, 6, 7, 8-hexahydro-1-methyl-3-oxo-4-isoquinolinyl)methyl]-2-methyl-5-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]benzamide | ZLD1039 | ZLD-1039

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective EZH2 inhibitor (IC50= 5.6 nM). Displays selectivity for EZH2 over a panel of HMTs (inhibition less than 30% at 16 μM). Blocks H3K27 methylation in breast cancer cell lines. Induces tumor regression and metastasis in breast cancer xeno

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C4CCCCC4=C(NC3=O)C)C5=CN=C(C=C5)N6CCN(CC6)C
• IUPAC Name: 3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)methyl]-5-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
• InChIKey: SZAYCVHJDOWSNY-UHFFFAOYSA-N
• INCHI: 1S/C36H48N6O3/c1-5-42(28-12-18-45-19-13-28)33-21-27(26-10-11-34(37-22-26)41-16-14-40(4)15-17-41)20-31(24(33)2)35(43)38-23-32-30-9-7-6-8-29(30)25(3)39-36(32)44/h10-11,20-22,28H,5-9,12-19,23H2,1-4H3,(H,38,43)(H,39,44)
• Isomeric SMILES: CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C4CCCCC4=C(NC3=O)C)C5=CN=C(C=C5)N6CCN(CC6)C
• PubChem CID: 132517142
• Molecular Weight: 612.8

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 12.26, Max Conc. mM: 20 with gentle warming; Solvent:ethanol, Max Conc. mg/mL: 12.26, Max Conc. mM: 20 with gentle warming
• Molecular Weight: 612.800 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 612.379 Da
• Monoisotopic Mass: 612.379 Da
• Topological Polar Surface Area: 90.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1120.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1