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E-72

CAT: 1410-M11850Size: 1 EachDry Ice: NoHazardous: No
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Description
G9a inhibitor E72 (E-72) is a potent inhibitor of histone H3K9 methyltransferases G9a and G9a-like protein (GLP) with Kd of 136 nM and 164 nM.
CAS Number
1435055-73-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
544.789
Molecular Formula
C29H52N8O2
Notes
Research use only, not for human use.
Receptor
HMTase

Chemical Information

7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine
CAS Number1435055-73-4
PubChem CID46174173
IUPAC Name7-(5-aminopentoxy)-4-N-[1-(5-aminopentyl)piperidin-4-yl]-2-N-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine
Molecular FormulaC29H52N8O2
Molecular Weight544.8
XLogP3.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count39
Formal Charge0
Complexity622
SMILES
CN(C)CCCNC1=NC2=CC(=C(C=C2C(=N1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN
InChI
InChI=1S/C29H52N8O2/c1-36(2)16-10-15-32-29-34-25-22-27(39-20-9-5-7-14-31)26(38-3)21-24(25)28(35-29)33-23-11-18-37(19-12-23)17-8-4-6-13-30/h21-23H,4-20,30-31H2,1-3H3,(H2,32,33,34,35)
InChIKey
DCGOBPRQIYFVOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine
CAS: 1435055-73-4
CID: 46174173
Formula: C29H52N8O2
MW: 544.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight544.8
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass544.42132293
Monoisotopic Mass544.42132293
Topological Polar Surface Area127 Ų
Heavy Atom Count39
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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