G244-LM , CAS No.1563007-08-8

CAS: 1563007-08-8 Cat. No.: G412941 Molecular Weight: 406.52

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

G244-LM is a potent and specific tankyrase 1/2 inhibitor that inhibits Wnt signaling.

Specifications

Biochemical and Physiological Mechanisms

G244-LM is a potent and specific tankyrase 1/2 inhibitor that inhibits Wnt signaling.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)C1=CC=CC=C1N2CCN(CC2)C3=NC4=C(CSCC4)C(=O)N3
• IUPAC Name: 2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
• InChIKey: JSQPAEVPPSCQMV-UHFFFAOYSA-N
• INCHI: 1S/C18H22N4O3S2/c1-27(24,25)16-5-3-2-4-15(16)21-7-9-22(10-8-21)18-19-14-6-11-26-12-13(14)17(23)20-18/h2-5H,6-12H2,1H3,(H,19,20,23)
• Molecular Weight: 406.52
• Reaxy-Rn: 35514012
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35514012&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Pyranopyridines Benzenesulfonyl compounds Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Pyrimidones Pyridines and derivatives Sulfones Heteroaromatic compounds Vinylogous amides Dialkylthioethers Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Pyranopyridine - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Sulfone - Tertiary amine - Azacycle - Dialkylthioether - Thioether - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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

Chemical and Physical Properties

• Molecular Weight: 406.500 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 406.113 Da
• Monoisotopic Mass: 406.113 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 764.000
• 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