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1020149-73-8 | Benzamide, N-[4-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-4-(4-quinolinylamino)-
CAS No: 1020149-73-8 Catalog No: AG0006BW MDL No:MFCD27937047
Product Description
Catalog Number:
AG0006BW
Chemical Name:
Benzamide, N-[4-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-4-(4-quinolinylamino)-
CAS Number:
1020149-73-8
Molecular Formula:
C27H23N7O
Molecular Weight:
461.5178
MDL Number:
MFCD27937047
IUPAC Name:
N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide
InChI:
InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
InChI Key:
QSYLKMKIVWJAAK-UHFFFAOYSA-N
SMILES:
Cc1cc(Nc2ccc(cc2)NC(=O)c2ccc(cc2)Nc2ccnc3c2cccc3)nc(n1)N
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.196g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
461.529g/mol
Monoisotopic Mass:
461.196g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| New insights on the mechanism of quinoline-based DNA Methyltransferase inhibitors. | The Journal of biological chemistry 20150306 |
| Selective non-nucleoside inhibitors of human DNA methyltransferases active in cancer including in cancer stem cells. | Journal of medicinal chemistry 20140213 |
| Laccaic acid A is a direct, DNA-competitive inhibitor of DNA methyltransferase 1. | The Journal of biological chemistry 20130816 |
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