GRADE & PURITY 10mM in DMSO

Synonyms

2W4279571X | 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole;hydrochloride | Atipamezole hydrochloride 100 microg/mL in Acetonitrile | DS-0064 | HY-12380 | 4-(2-Ethyl-2-indanyl)imidazole hydrochloride | 5-(2-Ethyl-indan-2-yl)-1H-imidazole hydrochloride | A

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

2W4279571X | 5-(2-ethyl-1, 3-dihydroinden-2-yl)-1H-imidazole;hydrochloride | Atipamezole hydrochloride 100 microg/mL in Acetonitrile | DS-0064 | HY-12380 | 4-(2-Ethyl-2-indanyl)imidazole hydrochloride | 5-(2-Ethyl-indan-2-yl)-1H-imidazole hydrochloride | A

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Selective α 2 adrenoceptor antagonist. K i values for receptor subtypes are 1.1 (α 2A ), 1.0 (α 2B ), 0.89 (α 2C ), 1300 (α 1A ) and 8500 nM (α 1B ). Centrally active following peripheral administration.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CCC1(CC2=CC=CC=C2C1)C3=CN=CN3.Cl
• IUPAC Name: 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole;hydrochloride
• InChIKey: PCCVCJAQMHDWJY-UHFFFAOYSA-N
• INCHI: 1S/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H
• Isomeric SMILES: CCC1(CC2=CC=CC=C2C1)C3=CN=CN3.Cl
• Molecular Weight: 248.75
• Reaxy-Rn: 8867719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8867719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene 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

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)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 218-222°C
• Molecular Weight: 248.750 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 248.108 Da
• Monoisotopic Mass: 248.108 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 237.000
• 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