4-Hydroxy-3-methoxyphenylglycol sulfate potassium salt - ≥98% , CAS No.71324-20-4

CAS: 71324-20-4 Cat. No.: H348159 Molecular Weight: 302.34 Beilstein Registry Number: 4625651

GRADE & PURITY ≥98%

Synonyms

HMS3371O01 | Tox21_500626 | HMS3261N14 | MLS002153355 | (3-Methoxy-4-sulfonyloxyphenyl)glycol potassium salt | EU-0100626 | HMS2234O18 | SMR000326852 | DTXSID801017458 | FT-0641345 | MHPG sulfate potassium salt | NCGC00261311-01 | potassium;[4-(1,2-dihydr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4-Hydroxy-3-methoxyphenylglycol sulfate potassium salt is a synthetic norepinephrine metabolite that is often used as an index of adrenergic stimulation.

Specifications

Synonyms

HMS3371O01 | Tox21_500626 | HMS3261N14 | MLS002153355 | (3-Methoxy-4-sulfonyloxyphenyl)glycol potassium salt | EU-0100626 | HMS2234O18 | SMR000326852 | DTXSID801017458 | FT-0641345 | MHPG sulfate potassium salt | NCGC00261311-01 | potassium;[4-(1, 2-dihydr

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Norepinephrine metabolite that is often used as an index of adrenergic stimulation.

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769554
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769554
• Canonical Smiles: COC1=C(C=CC(=C1)C(CO)O)OS(=O)(=O)[O-].[K+]
• IUPAC Name: potassium;[4-(1,2-dihydroxyethyl)-2-methoxyphenyl] sulfate
• InChIKey: XFZJWBFZLNLKNR-UHFFFAOYSA-M
• INCHI: 1S/C9H12O7S.K/c1-15-9-4-6(7(11)5-10)2-3-8(9)16-17(12,13)14;/h2-4,7,10-11H,5H2,1H3,(H,12,13,14);/q;+1/p-1
• Isomeric SMILES: COC1=C(C=CC(=C1)C(CO)O)OS(=O)(=O)[O-].[K+]
• WGK Germany: 3
• Molecular Weight: 302.34
• Beilstein: 4625651
• Reaxy-Rn: 4625651
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4625651&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Arylsulfates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Arylsulfates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylsulfates
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Sulfuric acid monoesters Secondary alcohols 1,2-diols Primary alcohols Organic potassium salts Organic oxides Hydrocarbon derivatives Aromatic alcohols Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylsulfate - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfuric acid monoester - Sulfate-ester - 1,2-diol - Secondary alcohol - Organic alkali metal salt - Ether - Primary alcohol - Organic salt - Organic potassium salt - Organooxygen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group.
• 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(Human)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

Associated Targets(non-human)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (50 mg/ml).
• Refractive Index: n20D~1.60 (Predicted)
• Melt Point(°C): 155° C
• Molecular Weight: 302.340 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 301.986 Da
• Monoisotopic Mass: 301.986 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 328.000
• 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: 2

XLogP3