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MS012

CAT: 1410-M13271-01Size: 1 EachDry Ice: NoHazardous: No
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Description
MS012 is a potent and selective inhibitor of G9a-Like Protein (GLP) lysine methyltransferase with IC50 of 7 nM.
CAS Number
2089617-83-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
401.555
Molecular Formula
C22H35N5O2
Notes
Research use only, not for human use.
Receptor
HMTase

Chemical Information

N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CAS Number2089617-83-2
PubChem CID137348638
IUPAC Name2-N-hexyl-6,7-dimethoxy-4-N-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Molecular FormulaC22H35N5O2
Molecular Weight401.5
XLogP5
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity460
SMILES
CCCCCCNC1=NC2=CC(=C(C=C2C(=N1)NC3CCN(CC3)C)OC)OC
InChI
InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26)
InChIKey
ZYNUWSFRZCRKSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CAS: 2089617-83-2
CID: 137348638
Formula: C22H35N5O2
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass401.27907538
Monoisotopic Mass401.27907538
Topological Polar Surface Area71.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity460
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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CatalogName
M10701-01MS0124

Alternative Products

CatalogName
MBS5777806MS012

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