2-Amino-1-(2,5-dimethoxyphenyl)ethanol - ≥97% , CAS No.3600-87-1

CAS: 3600-87-1 Cat. No.: A353857 Molecular Weight: 197.24 EC Number: 868-039-3

GRADE & PURITY ≥97%

Synonyms

SCHEMBL476432 | C21521 | Benzyl alcohol, alpha-(aminomethyl)-2,5-dimethoxy- | ST 1059 | 1-(2',5'-Dimethoxyphenyl)aminoethanol | 2-amino-1-(2',5'-dimethoxyphenyl) ethanol | alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol | ST 1059 (Desglymidodrine) | 1-(2

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

2-Amino-1-(2,5-dimethoxyphenyl)ethanol induces alpha-adrenergic receptor stimulation of arterial and venous systems without causing direct cardiac effects to the central nervous system.

Specifications

Synonyms

SCHEMBL476432 | C21521 | Benzyl alcohol, alpha-(aminomethyl)-2, 5-dimethoxy- | ST 1059 | 1-(2', 5'-Dimethoxyphenyl)aminoethanol | 2-amino-1-(2', 5'-dimethoxyphenyl) ethanol | alpha-(Aminomethyl)-2, 5-dimethoxybenzenemethanol | ST 1059 (Desglymidodrine) | 1-(2

Specifications & Purity

≥97%

Storage

Protected from light, 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

AGONIST

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=CC(=C(C=C1)OC)C(CN)O
• IUPAC Name: 2-amino-1-(2,5-dimethoxyphenyl)ethanol
• InChIKey: VFRCNXKYZVQYLX-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
• Isomeric SMILES: COC1=CC(=C(C=C1)OC)C(CN)O
• Molecular Weight: 197.24
• Reaxy-Rn: 3262168
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3262168&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Ether - Organic nitrogen compound - Primary amine - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: aromatic ether - secondary alcohol - primary amino compound

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)

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

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

ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

Discover Target: ADRA1D

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

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

Discover Target: ADRA1A

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

ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

Discover Target: ADRA1B

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

ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

Discover Target: ADRA2B

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

ADRA1A Tclin Adrenergic receptors; alpha-1 A & B (290 Activities)

Discover Target: ADRA1A

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

ADRA1A Tclin Alpha adrenergic receptor (1a and 1d) (128 Activities)

Discover Target: ADRA1A

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

Associated Targets(non-human)

Canis familiaris (36305 Activities)

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

Oryctolagus cuniculus (11301 Activities)

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

Rattus norvegicus (775804 Activities)

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

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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

Adra1d Alpha adrenergic receptor 1A and 1D (103 Activities)

Discover Target: Adra1d

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 DMSO and Methanol
• Sensitivity: Light sensitive
• Melt Point(°C): 146-150° C (dec.)
• Molecular Weight: 197.230 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.105 Da
• Monoisotopic Mass: 197.105 Da
• Topological Polar Surface Area: 64.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• 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