STM2457 - Moligand™, 10mM in DMSO , Inhibitor of methyltransferase 3; N6-adenosine-methyltransferase complex catalytic subunit, CAS No.2499663-01-1, Inhibitor of methyltransferase 3; N6-adenosine-methyltransferase complex catalytic subunit

CAS: 2499663-01-1 Cat. No.: S580518 Molecular Weight: 444.5 PubChem CID: 155167581

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

N-((6-(((Cyclohexylmethyl)amino)methyl)imidazo[1,2-a]pyridin-2-yl)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamid

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

STM2457 is a first-in-class, highly potent, selective METTL3 inhibitor with an IC50 of 16.9 nM. STM2457 can be used for the research of acute myeloid leukaemia (AML).

Specifications

Synonyms

N-((6-(((Cyclohexylmethyl)amino)methyl)imidazo[1, 2-a]pyridin-2-yl)methyl)-4-oxo-4H-pyrido[1, 2-a]pyrimidine-2-carboxamid

Specifications & Purity

Moligand™, 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of methyltransferase 3; N6-adenosine-methyltransferase complex catalytic subunit

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)CNCC2=CN3C=C(N=C3C=C2)CNC(=O)C4=CC(=O)N5C=CC=CC5=N4
• IUPAC Name: N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• InChIKey: OBERVORNENYOLE-UHFFFAOYSA-N
• INCHI: 1S/C25H28N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)
• PubChem CID: 155167581
• Molecular Weight: 444.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Imidazopyridines Imidazo[1,2-a]pyridines Pyrimidones Aralkylamines Pyridines and derivatives N-substituted imidazoles Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Dialkylamines Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrimidine - Imidazo[1,2-a]pyridine - Imidazopyridine - Aralkylamine - Pyrimidone - Pyrimidine - Pyridine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Lactam - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Secondary aliphatic amine - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

METTL3 Tbio N6-adenosine-methyltransferase catalytic subunit (0 Activities)

Discover Target: METTL3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: DMSO:125 mg/mL (281.20 mM),Need ultrasonic
• Molecular Weight: 444.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 444.227 Da
• Monoisotopic Mass: 444.227 Da
• Topological Polar Surface Area: 91.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 872.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1