Antazoline Hydrochloride - ≥98% , CAS No.2508-72-7

CAS: 2508-72-7 Cat. No.: A124055 Peso molecular: 301.82 Beilstein Registry Number: 25(4)2006 Número EC: 219-719-8

GRADE & PURITY ≥98%

Synonyms

2-(N-Benzylanilino)methyl-2-imidazoline, hydrochloride | 2-(N-Benzylanilinomethyl)-2-imidazoline hydrochloride | Antazoline HCl | ANTAZOLINE HYDROCHLORIDE [VANDF] | Histazine | NCGC00016613-10 | AS-74198 | Q27278115 | Tox21_110524_1 | 2-IMIDAZOLINE, 2-((N

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Imidazoline agonist; more potent than efaroxan in inducing insulin release from β cells; H1 histamine receptor antagonist.
Imidazoline binding site ligand and an antihistamine

Specifications

Sinónimos

2-(N-Benzylanilino)methyl-2-imidazoline, hydrochloride | 2-(N-Benzylanilinomethyl)-2-imidazoline hydrochloride | Antazoline HCl | ANTAZOLINE HYDROCHLORIDE [VANDF] | Histazine | NCGC00016613-10 | AS-74198 | Q27278115 | Tox21_110524_1 | 2-IMIDAZOLINE, 2-((N

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Imidazoline binding site ligand; a potent inducer of insulin secretion in rat pancreas. Also an antihistamine.

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182375
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182375
• Sonrisas canónicas: C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3.Cl
• IUPAC Name: N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydrochloride
• InChIKey: SWKDMSRRIBZZAY-UHFFFAOYSA-N
• INCHI: 1S/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H
• Isómeros SMILES: C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3.Cl
• WGK Alemania: 3
• RTECS: NJ2150000
• Peso molecular: 301.82
• Beilstein: 25(4)2006
• Reaxy-Rn: 3747947
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3747947&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzamines
• Alternative Parents: Dialkylarylamines Benzylamines Aniline and substituted anilines Aralkylamines Imidolactams Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylbenzamine - Benzylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Imidolactam - 2-imidazoline - Tertiary amine - Amidine - Carboxylic acid amidine - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
• 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 (humanos)

CACNA1H Tclin Voltage-gated T-type calcium channel alpha-1H subunit (1913 Activities)

Discover Target: CACNA1H

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

HEK293 (82097 Activities)

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

HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

Discover Target: HIF1A

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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Objetivos asociados (no humanos)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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

Plasmodium falciparum (966862 Activities)

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

Taar1 Trace amine-associated receptor 1 (899 Activities)

Discover Target: Taar1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
• Punto de fusión (°C): 238°C
• Peso molecular: 301.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 301.135 Da
• Monoisotopic Mass: 301.135 Da
• Topological Polar Surface Area: 27.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 314.000
• 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: 2

XLogP3