RA 839 - Moligand™, ≥98%(HPLC) , kelch like ECH-associated protein 1, CAS No.1832713-02-6, kelch like ECH-associated protein 1

CAS: 1832713-02-6 Cat. No.: R286798 Peso molecular: 452.57 PubChem CID: 91971266

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

ácido (3S)-1-[4-[[(2,3,5,6-Tetrametilfenil)sulfonil]amino]-1-naftalenil]-3-pirrolidinocarboxílico

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Descripción del producto

RA839 es una pequeña molécula no covalente ligante de Keap1 con una Kd de ∼6 μM y activador selectivo de la señalización Nrf2. El RA839 previene la inducción tanto de la expresión de óxido nítrico sintasa inducible como de la liberación de óxido nítrico en respuesta a lipopolisacáridos en macrófagos. El RA839 es un inhibidor selectivo de la interacción Keap1/Nrf2 y un compuesto útil para estudiar la biología de Nrf2.

Specifications

Sinónimos

ácido (3S)-1-[4-[[(2, 3, 5, 6-Tetrametilfenil)sulfonil]amino]-1-naftalenil]-3-pirrolidinocarboxílico

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Activador de Nrf2; inhibe la interacción Nrf2/Keap1 (Kd= 6μM). Suprime la expresión de iNOS y óxido nítrico inducida por LPS en macrófagos. Antiinflamatorio.

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Mecanismo de acción

kelch like ECH-associated protein 1

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)N4CCC(C4)C(=O)O)C)C
• IUPAC Name: (3S)-1-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid
• InChIKey: BVYWIQHJXAEJOD-IBGZPJMESA-N
• INCHI: 1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1
• Isómeros SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=C(C3=CC=CC=C32)N4CC[C@@H](C4)C(=O)O)C)C
• PubChem CID: 91971266
• Peso molecular: 452.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidine carboxylic acids Dialkylarylamines Organosulfonamides Aminosulfonyl compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfanilide - Benzenesulfonamide - Naphthalene - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Dialkylarylamine - Organosulfonic acid amide - Monocyclic benzene moiety - Sulfonyl - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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)

KEAP1 Tclin Kelch-like ECH-associated protein 1 (6 Activities)

Discover Target: KEAP1

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

KEAP1 Tclin Kelch-like ECH-associated protein 1 (1736 Activities)

Discover Target: KEAP1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 45.26, Max Conc. mM: 100
• Sensibilidad: light sensitive
• Peso molecular: 452.600 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 452.177 Da
• Monoisotopic Mass: 452.177 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 767.000
• 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