IXA6 - Moligand™, ≥99% , CAS No.1021106-40-0

CAS: 1021106-40-0 Cat. No.: I650273 Fórmula: C₂₂H₂₀ClN₃O₃S Peso molecular: 441.93 PubChem CID: 42111339

CALIDAD & PUREZA Moligand™, ≥99%

Synonyms

N-(4-Chlorobenzyl)-N-(2-(indolin-1-yl)-2-oxoethyl)pyridine-3-sulfonamide

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Descripción general

IXA6 is a novel IRE1/XBP1s agonist with potential vasoprotective activity that activates IRE1-XBP1s signaling and XBP1s transcriptional response, which can be used to study neurodegenerative diseases such as Parkinson's disease and Alzheimer's disease

Especificaciones

Sinónimos

N-(4-Chlorobenzyl)-N-(2-(indolin-1-yl)-2-oxoethyl)pyridine-3-sulfonamide

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

IXA6 is a novel IRE1/XBP1s activator, and can induce IRE1 RNase activity.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged,Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ACTIVATOR

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

C1CN(C2=CC=CC=C21)C(=O)CN(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CN=CC=C4

IUPAC Name

N-[(4-chlorophenyl)methyl]-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyridine-3-sulfonamide

InChIKey

INLQYLVXKDCKIT-UHFFFAOYSA-N

INCHI

1S/C22H20ClN3O3S/c23-19-9-7-17(8-10-19)15-25(30(28,29)20-5-3-12-24-14-20)16-22(27)26-13-11-18-4-1-2-6-21(18)26/h1-10,12,14H,11,13,15-16H2

Isómeros SMILES

C1CN(C2=CC=CC=C21)C(=O)CN(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CN=CC=C4

PubChem CID

42111339

Peso molecular

441.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinesulfonamides
• Alternative Parents: Alpha amino acids and derivatives Indoles and derivatives Chlorobenzenes Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Aminosulfonyl compounds Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Pyridine-3-sulfonamide - Indole or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Tertiary amine - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 441.900 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 441.091 Da
• Monoisotopic Mass: 441.091 Da
• Topological Polar Surface Area: 79.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 690.000
• 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