RX 821002 hydrochloride - ≥99%(HPLC) , CAS No.109544-45-8

CAS: 109544-45-8 Cat. No.: R286900 Peso molecular: 270.72 Número EC: 634-560-8

GRADE & PURITY ≥99%(HPLC)

Synonyms

MFCD00069343 | MLS002172474 | EU-0101053 | LP01053 | EINECS 209-675-8 | 2-(2-Methoxy-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-4,5-dihydro-1H-imidazolehydrochloride | Foipan (TN) | R 9525 | AKOS024426444 | Tox21_501053 | AS-73325 | RX 821002 hydrochloride, sol

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MFCD00069343 | MLS002172474 | EU-0101053 | LP01053 | EINECS 209-675-8 | 2-(2-Methoxy-2, 3-dihydrobenzo[b][1, 4]dioxin-2-yl)-4, 5-dihydro-1H-imidazolehydrochloride | Foipan (TN) | R 9525 | AKOS024426444 | Tox21_501053 | AS-73325 | RX 821002 hydrochloride, sol

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent, selectiveα2-adrenoceptor antagonist with very low affinity for imidazoline sites. Displays selectivity for theα2Dover theα2Asubtypes (pKdvalues are 9.7 and 8.2 respectively).

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Pureza

≥99%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504766828
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766828
• Sonrisas canónicas: COC1(COC2=CC=CC=C2O1)C3=NCCN3.Cl
• IUPAC Name: 2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochloride
• InChIKey: IMPOOMVZVWKSAP-UHFFFAOYSA-N
• INCHI: 1S/C12H14N2O3.ClH/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12;/h2-5H,6-8H2,1H3,(H,13,14);1H
• Isómeros SMILES: COC1(COC2=CC=CC=C2O1)C3=NCCN3.Cl
• WGK Alemania: 3
• CAS alternativo: 102575-24-6
• Peso molecular: 270.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Ketals Alkyl aryl ethers Para dioxins Imidolactams Benzenoids Imidazolines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Alkyl aryl ether - Ketal - Para-dioxin - Benzenoid - Imidolactam - 2-imidazoline - Acetal - Amidine - Carboxylic acid amidine - Ether - Carboximidamide - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane 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

Objetivos asociados (humanos)

ADRA2A Tclin Alpha-2A adrenergic receptor (1 Activities)

Discover Target: ADRA2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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; Solvent:DMSO, Max Conc. mg/mL: 27.07, Max Conc. mM: 100
• Sensibilidad: Moisture sensitive
• Peso molecular: 270.710 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 270.077 Da
• Monoisotopic Mass: 270.077 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 321.000
• 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