JW 480 - ≥98%(HPLC) , CAS No.1354359-53-7

CAS: 1354359-53-7 Cat. No.: J288338 Peso molecular: 333.42 Número EC: 806-386-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

JW480 | JW-480 | J-006696 | HY-107582 | SureCN4433152 | (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate | PCNJGBMWAZRVEA-UHFFFAOYSA-N | SCHEMBL4433152 | 2-isopropylphenyl (2-(naphthalen-2-yl)ethyl)carbamate | SB83266 | NCGC00387165-01 | MS-25032

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

JW480 | JW-480 | J-006696 | HY-107582 | SureCN4433152 | (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate | PCNJGBMWAZRVEA-UHFFFAOYSA-N | SCHEMBL4433152 | 2-isopropylphenyl (2-(naphthalen-2-yl)ethyl)carbamate | SB83266 | NCGC00387165-01 | MS-25032

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent and selective inhibitor of the serine hydrolase enzyme KIAA1363 (AADACL1) (IC50= 20 nM in mouse brain). Impairs migration, invasion, survival and tumor growth of prostate cancer cell linesin vivo. Reduces monoalkylglycerol ether (MAGE) levels.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC(C)C1=CC=CC=C1OC(=O)NCCC2=CC3=CC=CC=C3C=C2
• IUPAC Name: (2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate
• InChIKey: PCNJGBMWAZRVEA-UHFFFAOYSA-N
• INCHI: 1S/C22H23NO2/c1-16(2)20-9-5-6-10-21(20)25-22(24)23-14-13-17-11-12-18-7-3-4-8-19(18)15-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24)
• Isómeros SMILES: CC(C)C1=CC=CC=C1OC(=O)NCCC2=CC3=CC=CC=C3C=C2
• Peso molecular: 333.42
• Reaxy-Rn: 21878624
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21878624&ln=

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: Phenylpropanes Cumenes Phenoxy compounds Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Phenylpropane - Cumene - Phenoxy compound - Monocyclic benzene moiety - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 33.34, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 33.34, Max Conc. mM: 100
• Peso molecular: 333.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 333.173 Da
• Monoisotopic Mass: 333.173 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 422.000
• 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