HOKU-81 - ≥98% , CAS No.58020-43-2

CAS: 58020-43-2 Cat. No.: H126072 Peso molecular: 243.73

GRADE & PURITY ≥98%

Synonyms

AKOS030526852 | DTXSID90861329 | 4-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol | A915293 | HY-50291 | Hoku 81 | EX-A4741 | 2-Chloro-alpha-(((1,1-dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol | SCHEMBL250026 | Hoku-81 | 4-[2-(t-butylamino)-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

HOKU-81 (4-Hydroxytulobuterol) is one of the metabolites of Tulobuterol (HY-B1810). HOKU-81 is a potent and selective β2-adrenoceptor stimulant. HOKU-81 has bronchodilating effect

Specifications

Sinónimos

AKOS030526852 | DTXSID90861329 | 4-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol | A915293 | HY-50291 | Hoku 81 | EX-A4741 | 2-Chloro-alpha-(((1, 1-dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol | SCHEMBL250026 | Hoku-81 | 4-[2-(t-butylamino)-1

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

HOKU-81 is one of the metabolites of tulobuterol. Effects of HOKU-81 on isolated trachea and atria of guinea pigs were compared with those of various bronchodilators. HOKU-81 appears to be a potent and selective beta 2-stimulant with a sl

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)(C)NCC(C1=C(C=C(C=C1)O)Cl)O
• IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol
• InChIKey: LIXBJWRFCNRAPA-UHFFFAOYSA-N
• INCHI: 1S/C12H18ClNO2/c1-12(2,3)14-7-11(16)9-5-4-8(15)6-10(9)13/h4-6,11,14-16H,7H2,1-3H3
• Isómeros SMILES: CC(C)(C)NCC(C1=C(C=C(C=C1)O)Cl)O
• Peso molecular: 243.73
• Reaxy-Rn: 2111733
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2111733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 M-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: M-chlorophenols
• Alternative Parents: Chlorobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-chlorophenol - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 position of the benzene ring.
• 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 (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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: 243.730 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 243.103 Da
• Monoisotopic Mass: 243.103 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 218.000
• 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