SKF 86466 hydrochloride - ≥98%(HPLC) , CAS No.86129-54-6

CAS: 86129-54-6 Cat. No.: S286807 Molecular Weight: 232.15 PubChem CID: 10220250

GRADE & PURITY ≥98%(HPLC)

Synonyms

DTXSID70436918 | LP01056 | Skf 86466 | SR-01000076121 | 6-Chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine hydrochloride | 1H-3-BENZAZEPINE, 6-CHLORO-2,3,4,5-TETRAHYDRO-3-METHYL-, HYDROCHLORIDE (1:1) | Tox21_501056 | SKF-86466 hydrochloride, solid, >=9

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

SKF 86466 hydrochloride is a novel selective alpha-2 adrenergic receptor antagonist. Benalfocin reduces blood pressure and heart rate. Benalfocin can be used in the study of cardiovascular effects。

Specifications

Synonyms

DTXSID70436918 | LP01056 | Skf 86466 | SR-01000076121 | 6-Chloro-2, 3, 4, 5-tetrahydro-3-methyl-1H-3-benzazepine hydrochloride | 1H-3-BENZAZEPINE, 6-CHLORO-2, 3, 4, 5-TETRAHYDRO-3-METHYL-, HYDROCHLORIDE (1:1) | Tox21_501056 | SKF-86466 hydrochloride, solid, >=9

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selectiveα2antagonist at pre- and post-junctionalα2-adrenoceptors (Kivalues are 13 and 17 nM respectively). Exhibits antihypertensive activity in a rat model.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CN1CCC2=C(CC1)C(=CC=C2)Cl.Cl
• IUPAC Name: 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
• InChIKey: JKQKVNMNAIFCFS-UHFFFAOYSA-N
• INCHI: 1S/C11H14ClN.ClH/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13;/h2-4H,5-8H2,1H3;1H
• Isomeric SMILES: CN1CCC2=C(CC1)C(=CC=C2)Cl.Cl
• PubChem CID: 10220250
• Molecular Weight: 232.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Azepines Aralkylamines Benzenoids Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Azepine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
• 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

Associated Targets(Human)

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

Discover Target: APEX1

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

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Plasmodium falciparum (966862 Activities)

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Cavia porcellus (23802 Activities)

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Canis familiaris (36305 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 23.21, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 23.21, Max Conc. mM: 100
• Sensitivity: Light sensitive; Heat sensitive； Moisture sensitive
• Molecular Weight: 232.150 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 231.058 Da
• Monoisotopic Mass: 231.058 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 171.000
• 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

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