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SGI-1027

CAS No.:
1020149-73-8
Catalog Number:
AG0006BW
Molecular Formula:
C27H23N7O
Molecular Weight:
461.5178
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
≥98%
1 week
United States
$178
- +
10mg
99%
1 week
United States
$229
- +
50mg
99%
1 week
United States
$572
- +
Product Description
Catalog Number:
AG0006BW
Chemical Name:
SGI-1027
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
Properties