Hordenine - analytical standard, ≥99% , CAS No.539-15-1

CAS: 539-15-1 Cat. No.: H115723 Molecular Weight: 165.23 Beilstein Registry Number: 2207615 EC Number: 208-710-4

GRADE & PURITY Analytical standard, ≥99%

Synonyms

EINECS 208-710-4 | N,N-Dimethyltyramine | p-[2-(Dimethylamino)ethyl]phenol | Hordenine (sulfate) | BRD-K93631643-065-01-1 | K3489CA082 | P-(2-(DIMETHYLAMINO)ETHYL)PHENOL | HY-N0113 | H1351 | NCGC00160162-03 | DTXCID0026096 | HORDENINE [MI] | Hordenine | Q

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EINECS 208-710-4 | N, N-Dimethyltyramine | p-[2-(Dimethylamino)ethyl]phenol | Hordenine (sulfate) | BRD-K93631643-065-01-1 | K3489CA082 | P-(2-(DIMETHYLAMINO)ETHYL)PHENOL | HY-N0113 | H1351 | NCGC00160162-03 | DTXCID0026096 | HORDENINE [MI] | Hordenine | Q

Specifications & Purity

analytical standard, ≥99%

Biochemical and Physiological Mechanisms

Phenylethylamine alkaloid. Selective MAO-B substrate. Indirect adrenergic agent. Increases the release of stored noradrenaline. Inhibits melanogenesis by suppressing cAMP production. Shows positive ionotropic effects in vivo . Orally active.

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN(C)CCC1=CC=C(C=C1)O
• IUPAC Name: 4-[2-(dimethylamino)ethyl]phenol
• InChIKey: KUBCEEMXQZUPDQ-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
• Isomeric SMILES: CN(C)CCC1=CC=C(C=C1)O
• WGK Germany: 3
• Molecular Weight: 165.23
• Beilstein: 2207615
• Reaxy-Rn: 2207615
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207615&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• External Descriptors: Tyramine derivatives

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)

A2780 (11979 Activities)

Explore this target

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

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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

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

Mus musculus (284745 Activities)

Explore this target

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

• Molecular Weight: 165.230 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115 Da
• Monoisotopic Mass: 165.115 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 117.000
• 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

References

1. Jili Zou, Siran Wu, Bi Sheng, Jing An, Junhua Meng, Wang Xiong, Jiahan Tao, Wang Han, Lin Zhao, Hanlin Xu, Yonggang Chen.  (2022)  UPLC-Q-TOF-MS/MS analysis on the chemical composition of malts under different germination cycles and prepared with different processing methods.  FITOTERAPIA,      [PMID:36179899] [10.1016/j.fitote.2022.105313]

2. Yin Lujun, Shen Wang, Liu Jun-Sheng, Jia Ai-Qun.  (2022)  2-Hydroxymethyl-1-methyl-5-nitroimidazole, one siderophore inhibitor, occludes quorum sensing in Pseudomonas aeruginosa.  Frontiers in Cellular and Infection Microbiology,      [PMID:36159634] [10.3389/fcimb.2022.955952]