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ZINC13000658

CAT: 0804-HY-178947Size: 1 EachDry Ice: NoHazardous: No
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Description
ZINC13000658 is a METTL inhibitor. ZINC13000658 exhibits significant anti proliferative activity in various cells and can induce G1 phase cell cycle arrest and apoptosis such as HepG2 (IC50 = 5.632 µM) and SNU-449 (IC50 = 6.184 µM) cells. ZINC13000658 may be related to the inhibition of the activity of multiple methyltransferases such as METTL1, 3, 6, 16, 18, etc. ZINC13000658 can be used for research on various types of cancer[1].
CAS Number
1324070-76-9
UNSPSC
12352005
Target
Apoptosis; METTL3
Related Pathways
Apoptosis; Epigenetics
Field of Research
Cancer
Smiles
COC1=CC=C2C(C=CN2CCNC(C3=CC(NC4=CC=CC=C43)=O)=O)=C1
Molecular Formula
C21H19N3O3
Molecular Weight
361.39
References & Citations
[1]Morshed MN, et al. Identification of novel small molecule inhibitors targeting multiple methyltransferase like proteins against hepatocellular carcinoma. Sci Rep. 2025 Sep 26;15 (1) :33087.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(2-(5-methoxy-1H-indol-1-yl)ethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
CAS Number1324070-76-9
PubChem CID56763593
IUPAC NameN-[2-(5-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
Molecular FormulaC21H19N3O3
Molecular Weight361.4
XLogP2
Topological Polar Surface Area72.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity605
SMILES
COC1=CC2=C(C=C1)N(C=C2)CCNC(=O)C3=CC(=O)NC4=CC=CC=C43
InChI
InChI=1S/C21H19N3O3/c1-27-15-6-7-19-14(12-15)8-10-24(19)11-9-22-21(26)17-13-20(25)23-18-5-3-2-4-16(17)18/h2-8,10,12-13H,9,11H2,1H3,(H,22,26)(H,23,25)
InChIKey
VXRYJPPJSXKGCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(5-methoxy-1H-indol-1-yl)ethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
CAS: 1324070-76-9
CID: 56763593
Formula: C21H19N3O3
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass361.14264148
Monoisotopic Mass361.14264148
Topological Polar Surface Area72.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity605
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

Alternative Products

CatalogName
GTR19272850-01ZINC13000658

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