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UNC0224

CAS No.:
1197196-48-7
Catalog Number:
AG008SSR
Molecular Formula:
C26H43N7O2
Molecular Weight:
485.6653
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$110
- +
5mg
≥98%
1 week
United States
$189
- +
10mg
≥98%
1 week
United States
$294
- +
50mg
≥98%
1 week
United States
$1126
- +
Product Description
Catalog Number:
AG008SSR
Chemical Name:
UNC0224
CAS Number:
1197196-48-7
Molecular Formula:
C26H43N7O2
Molecular Weight:
485.6653
MDL Number:
MFCD18251564
IUPAC Name:
7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
InChI:
InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
InChI Key:
XIVUGRBSBIXXJE-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OCCCN(C)C)nc(nc2NC1CCN(CC1)C)N1CCCN(CC1)C
Properties
Complexity:
619  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.348g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
485.677g/mol
Monoisotopic Mass:
485.348g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Oncoepigenomics: making histone lysine methylation count. European journal of medicinal chemistry 20121001
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines. Journal of medicinal chemistry 20110908
Protein lysine methyltransferase G9a inhibitors: design, synthesis, and structure activity relationships of 2,4-diamino-7-aminoalkoxy-quinazolines. Journal of medicinal chemistry 20100812
Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a. Journal of medicinal chemistry 20091224
Properties