BU 226 hydrochloride - ≥98% , CAS No.1186195-56-1

CAS: 1186195-56-1 Cat. No.: B288485 Summenformel: C₁₂H₁₂ClN₃ Molekulargewicht: 233.7 PubChem CID: 56972194

GRADE & PURITY ≥98%

Synonyms

2-(4,5-Dihydroimidazol-2-yl)isoquinoline hydrochloride | 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Product Describtion:

Ligand at I2 imidazoline sites,high affinity and selectivity.

Specifications

Synonyme

2-(4,5-Dihydroimidazol-2-yl)isoquinoline hydrochloride | 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline hydrochloride

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

A high affinity ligand for I2imidazoline sites (Ki= 2.7 nM) with very high selectivity (> 2000-fold) overα2-adrenoceptors (Ki= 6700 nM).

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504771520

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771520

Kanonisches Lächeln

C1CN=C(N1)C2=CC3=CC=CC=C3C=N2.Cl

IUPAC Name

3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline;hydrochloride

InChIKey

NIGHNKWLMSRCOZ-UHFFFAOYSA-N

INCHI

1S/C12H11N3.ClH/c1-2-4-10-8-15-11(7-9(10)3-1)12-13-5-6-14-12;/h1-4,7-8H,5-6H2,(H,13,14);1H

Isomere SMILES

C1CN=C(N1)C2=CC3=CC=CC=C3C=N2.Cl

PubChem CID

56972194

Molekulargewicht

233.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Pyridines and derivatives Imidolactams Benzenoids Imidazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Pyridine - Benzenoid - Imidolactam - 2-imidazoline - Heteroaromatic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amidine - Carboxylic acid amidine - Azacycle - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
• Molekulargewicht: 233.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.072 Da
• Monoisotopic Mass: 233.072 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 262.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1186195-56-1, the molecular formula is C12H12ClN3, and the molecular weight is 233.7 g/mol. InChIKey NIGHNKWLMSRCOZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.