HOKU-81 - ≥98% , CAS No.58020-43-2

CAS: 58020-43-2 Cat. No.: H126072 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(C)(C)NCC(C1=C(C=C(C=C1)O)Cl)O
• Molecular Weight: 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
    • Class Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 M-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO
• Molecular Weight: 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