L-674573 - ≥98% , Epidermal growth factor receptor erbB1 inhibitor, CAS No.127481-29-2, Epidermal growth factor receptor erbB1 inhibitor

CAS: 127481-29-2 Cat. No.: P670967 Peso molecular: 457.58 PubChem CID: 124437

GRADE & PURITY ≥98%

Synonyms

Acetic acid, ((4-phenyl-1-(4-(2-quinolinylmethoxy)phenyl)butyl)thio)- | Azd 4769 | ((4-Phenyl-1-(4-(2-quinolinylmethoxy)phenyl)butyl)thio)acetic acid | 2-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylacetic acid | L-674573 | DTXSID70925897 | L

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

L-674573 is a quinoline leukotriene synthesis inhibitor that selectively inhibits 5-lipoxygenase translocation.

Specifications

Sinónimos

Acetic acid, ((4-phenyl-1-(4-(2-quinolinylmethoxy)phenyl)butyl)thio)- | Azd 4769 | ((4-Phenyl-1-(4-(2-quinolinylmethoxy)phenyl)butyl)thio)acetic acid | 2-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylacetic acid | L-674573 | DTXSID70925897 | L

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, 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

INHIBITOR

Mecanismo de acción

Epidermal growth factor receptor erbB1 inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 6.4

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O
• IUPAC Name: 2-[4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butyl]sulfanylacetic acid
• InChIKey: JOIXGLLMSDPZDN-UHFFFAOYSA-N
• INCHI: 1S/C28H27NO3S/c30-28(31)20-33-27(12-6-9-21-7-2-1-3-8-21)23-14-17-25(18-15-23)32-19-24-16-13-22-10-4-5-11-26(22)29-24/h1-5,7-8,10-11,13-18,27H,6,9,12,19-20H2,(H,30,31)
• Isómeros SMILES: C1=CC=C(C=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O
• PubChem CID: 124437
• Peso molecular: 457.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Dialkylthioether - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 10 mg/mL (21.85 mM)
• Sensibilidad: light sensitive
• Peso molecular: 457.600 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 457.171 Da
• Monoisotopic Mass: 457.171 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 573.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1