Medetomidine HCl - ≥99% , CAS No.86347-15-1

CAS: 86347-15-1 Cat. No.: M129911 Molecular Weight: 236.74 EC Number: 645-306-0

GRADE & PURITY ≥99%

Synonyms

(+/-)-4-(.ALPHA.,2,3-TRIMETHYLBENZYL)IMIDAZOLE MONOHYDROCHLORIDE | 1246820-20-1 | 4-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride | FT-0645167 | (+/-)-5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride | 1H-Imidazole, 4-(1-(2,3-dimethyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Medetomidine is a selective α2-adrenoceptor agonist, with Ki of 1.08 nM, exhibts 1620-fold selectivity over α1-adrenoceptor

Specifications

Synonyms

(+/-)-4-(.ALPHA., 2, 3-TRIMETHYLBENZYL)IMIDAZOLE MONOHYDROCHLORIDE | 1246820-20-1 | 4-[1-(2, 3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride | FT-0645167 | (+/-)-5-[1-(2, 3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride | 1H-Imidazole, 4-(1-(2, 3-dimethyl

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Medetomidine Hydrochloride is an agonist of adrenergic alpha-2 receptor, which is used in veterinary medicine for its analgesic and sedative properties.Selective α 2 adrenoceptor agonist (K i values for receptor subtypes are 3.89 (α 2A ), 7.40 (α 2B ), 12

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

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

• Pubchem Sid: 488184177
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184177
• Canonical Smiles: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl
• IUPAC Name: 5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride
• InChIKey: VPNGEIHDPSLNMU-UHFFFAOYSA-N
• INCHI: 1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H
• Isomeric SMILES: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl
• Molecular Weight: 236.74
• Reaxy-Rn: 5362300
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5362300&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: o-Xylenes
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-xylene - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
• External Descriptors: hydrochloride

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)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Associated Targets(non-human)

Rattus norvegicus (775804 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

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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

Adra2c Adrenergic receptor alpha-2 (3313 Activities)

Discover Target: Adra2c

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 12 mg/mL Water 47 mg/mL Ethanol 47 mg/mL
• Sensitivity: Hygroscopic
• Melt Point(°C): 179 °C
• Molecular Weight: 236.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 236.108 Da
• Monoisotopic Mass: 236.108 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 205.000
• 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