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CM-272

CAT: 0926-WYC57031-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WYC57031-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1846570-31-7
Smiles
CC1=CC=C (O1) C2=NC3=CC (=C (C=C3C (=C2) NC4CCN (CC4) C) OC) OCCCN5CCCC5
Molecular Formula
C28H38N4O3
Molecular Weight
478.63 g/mol
Controlled
No

Chemical Information

6-Methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine

CM-272 is a member of the class of aminoquinolines that is is quinoline substituted by 5-methylfuran-2-yl, (1-methylpiperidin-4-yl)amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It is a dual G9a/DNA methyltransferases inhibitor with antitumor activity. It inhibits G9a, DNMT1, DNMT3A, DNMT3B and GLP (IC50 = 8 nM, 382 nM, 85 nM, 1200 nM and 2 nM, respectively). It has a role as an EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor, a ferroptosis inducer, an antineoplastic agent, an apoptosis inducer and an EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor. It is a member of furans, a member of piperidines, an aromatic ether, an aminoquinoline, a N-alkylpyrrolidine, a diether, a secondary amino compound and a tertiary amino compound.

CAS Number1846570-31-7
PubChem CID118607432
IUPAC Name6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
Molecular FormulaC28H38N4O3
Molecular Weight478.6
XLogP4.8
Topological Polar Surface Area63
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity640
SMILES
CC1=CC=C(O1)C2=NC3=CC(=C(C=C3C(=C2)NC4CCN(CC4)C)OC)OCCCN5CCCC5
InChI
InChI=1S/C28H38N4O3/c1-20-7-8-26(35-20)25-18-23(29-21-9-14-31(2)15-10-21)22-17-27(33-3)28(19-24(22)30-25)34-16-6-13-32-11-4-5-12-32/h7-8,17-19,21H,4-6,9-16H2,1-3H3,(H,29,30)
InChIKey
RLQLKZTYUYIWDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine
CAS: 1846570-31-7
CID: 118607432
Formula: C28H38N4O3
MW: 478.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass478.29439109
Monoisotopic Mass478.29439109
Topological Polar Surface Area63 Ų
Heavy Atom Count35
Formal Charge0
Complexity640
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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