LY450108 - ≥98% , CAS No.376594-67-1

CAS: 376594-67-1 Cat. No.: L126763 Fórmula: C₁₉H₂₂F₂N₂O₃S Peso molecular: 396.45

GRADE & PURITY ≥98%

Synonyms

LY450108 | LY-450108 | A899641 | AS-16420 | HY-10935 | AKOS025149442 | NCGC00370740-04 | 3,5-difluoro-N-[4-[(2R)-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide | BCP06875 | UNII-JT47TQ8QOS | (R)-3,5-Difluoro-N-(4-(1-((1-methylethyl)sulfonamido)p

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

LY450108 is an alpha-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptor potentiator.

Specifications

Sinónimos

LY450108 | LY-450108 | A899641 | AS-16420 | HY-10935 | AKOS025149442 | NCGC00370740-04 | 3,5-difluoro-N-[4-[(2R)-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide | BCP06875 | UNII-JT47TQ8QOS | (R)-3,5-Difluoro-N-(4-(1-((1-methylethyl)sulfonamido)p

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

ACTIVATOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)F)F

IUPAC Name

3,5-difluoro-N-[4-[(2R)-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]benzamide

InChIKey

ACOXQYLJOQAHST-ZDUSSCGKSA-N

INCHI

1S/C19H22F2N2O3S/c1-12(2)27(25,26)22-11-13(3)14-4-6-18(7-5-14)23-19(24)15-8-16(20)10-17(21)9-15/h4-10,12-13,22H,11H2,1-3H3,(H,23,24)/t13-/m0/s1

Isómeros SMILES

C[C@@H](CNS(=O)(=O)C(C)C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)F)F

Peso molecular

396.45

Reaxy-Rn

11326680

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11326680&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Organosulfonamides Organic sulfonamides Aryl fluorides Aminosulfonyl compounds Secondary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Objetivos asociados (humanos)

GRIA2 Tclin Glutamate receptor 2 (1 Activities)

Discover Target: GRIA2

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

GRIA3 Tclin Glutamate receptor ionotropic, AMPA 3 (127 Activities)

Discover Target: GRIA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GRIA1 Tclin Glutamate receptor ionotropic, AMPA 1 (277 Activities)

Discover Target: GRIA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GRIA2 Tclin Glutamate receptor ionotropic, AMPA 2 (847 Activities)

Discover Target: GRIA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO
• Peso molecular: 396.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 396.132 Da
• Monoisotopic Mass: 396.132 Da
• Topological Polar Surface Area: 83.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 576.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 376594-67-1, the molecular formula is C19H22F2N2O3S, and the molecular weight is 396.45 g/mol. InChIKey ACOXQYLJOQAHST-ZDUSSCGKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.