6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide

Base Information

• Chemical Name: 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide
• CAS No.: 1418308-27-6
• Molecular Formula: C23H26N4O2
• Molecular Weight: 390.47814
• DSSTox Substance ID: DTXSID101111134
• Nikkaji Number: J3.149.441I
• Wikidata: Q27077166
• Pharos Ligand ID: 5KTTA1WG3GAH
• ChEMBL ID: CHEMBL3414574
• Mol file: 1418308-27-6.mol

Synonyms:1418308-27-6;EI1;KB-145943;6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide;6-Cyano-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-(pentan-3-yl)-1H-indole-4-carboxamide;6-Cyano-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(1-ethylpropyl)-1H-indole-4-carboxamide;6-cyano-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-1-(pentan-3-yl)-1H-indole-4-carboxamide;6-cyano-n-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-1-(1-ethylpropyl)-1h-indole-4-carboxamide;Ezh2 inhibitor;D02CIT;EI-1;EI 1;GTPL7013;SCHEMBL16197843;DTXSID101111134;BCP23699;EX-A2431;s7611;CCG-268533;CS-1654;SB19343;NCGC00351776-01;NCGC00351776-03;AC-36069;AS-55788;HY-15573;C72647;A911213;Q27077166;1-(1-Ethylpropyl)-4-[[(2-oxo-4,6-dimethyl-1,2-dihydropyridine)-3-ylmethyl]carbamoyl]-1H-indole-6-carbonitrile

Chemical Property of 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide

Chemical Property:

• Boiling Point: 675.9±55.0 °C(Predicted)
• PKA: 11.88±0.10(Predicted)
• PSA: 94.43000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 5.09628
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: insoluble in H2O; insoluble in EtOH; ≥19.5 mg/mL in DMSO
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 390.20557608
• Heavy Atom Count: 29
• Complexity: 771

Purity/Quality:

99% ^*data from raw suppliers

Ezh2 Inhibitor II, EI1 - CAS 1418308-27-6 - Calbiochem ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)N1C=CC2=C(C=C(C=C21)C#N)C(=O)NCC3=C(C=C(NC3=O)C)C
• Description: EZH2 is a histone methyltransferase and its activation leads to alteration in cell cycle regulation, proliferation, and cancer progression [65]. High expression and mutation of EZH2 are in a variety of malignancies and usually portend for a poor prognosis.