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1598383-40-4 | Benzamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl[trans-4-[(2-methoxyethyl)methylamino]cyclohexyl]amino]-2-methyl-5-[3-(4-morpholinyl)-1-propyn-1-yl]-
CAS No: 1598383-40-4 Catalog No: AG001RF8 MDL No:
Product Description
Catalog Number:
AG001RF8
Chemical Name:
Benzamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl[trans-4-[(2-methoxyethyl)methylamino]cyclohexyl]amino]-2-methyl-5-[3-(4-morpholinyl)-1-propyn-1-yl]-
CAS Number:
1598383-40-4
Molecular Formula:
C35H51N5O4
Molecular Weight:
605.8105
IUPAC Name:
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide
InChI:
InChI=1S/C35H51N5O4/c1-7-40(30-12-10-29(11-13-30)38(5)15-18-43-6)33-23-28(9-8-14-39-16-19-44-20-17-39)22-31(27(33)4)34(41)36-24-32-25(2)21-26(3)37-35(32)42/h21-23,29-30H,7,10-20,24H2,1-6H3,(H,36,41)(H,37,42)
InChI Key:
XQFINGFCBFHOPE-UHFFFAOYSA-N
SMILES:
COCCN([C@@H]1CC[C@H](CC1)N(c1cc(C#CCN2CCOCC2)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)CC)C
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
605.394g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
605.824g/mol
Monoisotopic Mass:
605.394g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| EPZ011989, A Potent, Orally-Available EZH2 Inhibitor with Robust in Vivo Activity. | ACS medicinal chemistry letters 20150514 |
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