GNF-1331 , CAS No.603101-22-0

CAS: 603101-22-0 Cat. No.: G1453250 Molecular Weight: 440.54 PubChem CID: 4993304

Storage

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Overview

GNF-1331 (compound 19) is a potent, selective and orally bioavailable porcupine inhibitor ( IC 50 =12 nM). GNF-1331 blocks Wnt ligand secretion and subsequent Wnt signaling activity, and induces significant antitumor effects in the mouse MMTV-WNT1 xenograft tumor model.

Specifications

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: CCCN1C(=NN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=NC=C4
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• InChIKey: JIUFLMSAFMXEEC-UHFFFAOYSA-N
• INCHI: 1S/C20H20N6O2S2/c1-3-10-26-18(13-6-8-21-9-7-13)24-25-20(26)29-12-17(27)23-19-22-15-5-4-14(28-2)11-16(15)30-19/h4-9,11H,3,10,12H2,1-2H3,(H,22,23,27)
• Isomeric SMILES: CCCN1C(=NN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=NC=C4
• PubChem CID: 4993304
• Molecular Weight: 440.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridyltriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridyltriazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridyl-1,2,4-triazoles
• Alternative Parents: Benzothiazoles N-arylamides Anisoles Alkylarylthioethers Alkyl aryl ethers Triazoles Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridyl-1,2,4-triazole - 1,3-benzothiazole - Aryl thioether - Anisole - N-arylamide - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
• 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