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CM-579

CAT: 1410-M12853-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12853-01Size:5 mg
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Description
CM-579 (CM579) is a novel potent, selective and reversible dual inhibitor of G9a/DNMTs with IC50 of 16 nM and 32 nM for G9a and DNMT1, respectively.
CAS Number
1846570-40-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
492.664
Molecular Formula
C29H40N4O3
Notes
Research use only, not for human use.
Receptor
HMTase

Chemical Information

6-Methoxy-2-(5-methylfuran-2-yl)-N-((1-methylpiperidin-4-yl)methyl)-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine
CAS Number1846570-40-8
PubChem CID118613729
IUPAC Name6-methoxy-2-(5-methylfuran-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
Molecular FormulaC29H40N4O3
Molecular Weight492.7
XLogP4.9
Topological Polar Surface Area63
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity654
SMILES
CC1=CC=C(O1)C2=NC3=CC(=C(C=C3C(=C2)NCC4CCN(CC4)C)OC)OCCCN5CCCC5
InChI
InChI=1S/C29H40N4O3/c1-21-7-8-27(36-21)26-18-24(30-20-22-9-14-32(2)15-10-22)23-17-28(34-3)29(19-25(23)31-26)35-16-6-13-33-11-4-5-12-33/h7-8,17-19,22H,4-6,9-16,20H2,1-3H3,(H,30,31)
InChIKey
VMMRDFLDWHFNOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-2-(5-methylfuran-2-yl)-N-((1-methylpiperidin-4-yl)methyl)-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine
CAS: 1846570-40-8
CID: 118613729
Formula: C29H40N4O3
MW: 492.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight492.7
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass492.31004115
Monoisotopic Mass492.31004115
Topological Polar Surface Area63 Ų
Heavy Atom Count36
Formal Charge0
Complexity654
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