SW157765 - Moligand™,≥98% , CAS No.332063-87-3

CAS: 332063-87-3 Cat. No.: S648694 Molecular Weight: 331.32 PubChem CID: 782267

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SW157765 is a selective non-canonical glucose transporter GLUT8 (SLC2A8) inhibitor. KRAS/KEAP1 double mutant NSCLC cells are selectively sensitive to the SW157765, due to the convergent consequences of dual KRAS and NRF2 modulation of metabolic and xenobiotic gene regulatory programs.

In Vitro

SW157765-sensitive NSCLC cell lines are also selectively sensitive to glucose deprivation and to GLUT8 depletion. SW157765 selectively inhibits fluorescent 2-deoxyglucose (2DG) uptake in SW157765-sensitive cells in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

SW157765 is a selective non-canonical glucose transporter GLUT8 (SLC2A8) inhibitor. KRAS/KEAP1 double mutant NSCLC cells are selectively sensitive to the SW157765, due to the convergent consequences of dual KRAS and NRF2 modulation of metabolic and xenobi

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=COC(=C1)C=CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4
• IUPAC Name: (E)-3-(furan-2-yl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide
• InChIKey: QSSYRORXXFTVFI-GQCTYLIASA-N
• INCHI: 1S/C19H13N3O3/c23-18(6-4-15-2-1-11-24-15)21-14-3-5-17-16(12-14)22-19(25-17)13-7-9-20-10-8-13/h1-12H,(H,21,23)/b6-4+
• Isomeric SMILES: C1=COC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4
• PubChem CID: 782267
• Molecular Weight: 331.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazoles
• Alternative Parents: N-arylamides Pyridines and derivatives Benzenoids Oxazoles Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazole - N-arylamide - Pyridine - Benzenoid - Azole - Furan - Oxazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
• 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

• Solubility: DMSO : 25 mg/mL (75.46 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 331.300 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 331.096 Da
• Monoisotopic Mass: 331.096 Da
• Topological Polar Surface Area: 81.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 492.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1