KU14R - ≥98% , CAS No.189224-48-4

CAS: 189224-48-4 Cat. No.: K126644 Formula: C₁₃H₁₄N₂O Molecular Weight: 214.26

GRADE & PURITY ≥98%

Synonyms

HMS3676K17 | 1H-Imidazole, 2-(2-ethyl-2,3-dihydro-2-benzofuranyl)- | FT-0706985 | HMS3412K17 | 2-(2-ethyl-2,3-dihydrobenzo[b]furan-2-yl)-1h-imidazole | A880465 | CHEBI:91671 | AC-36796 | BRD-A38747044-001-01-5 | J-012207 | 2-(2-ethyl-3H-1-benzofuran-2-yl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

HMS3676K17 | 1H-Imidazole, 2-(2-ethyl-2,3-dihydro-2-benzofuranyl)- | FT-0706985 | HMS3412K17 | 2-(2-ethyl-2,3-dihydrobenzo[b]furan-2-yl)-1h-imidazole | A880465 | CHEBI:91671 | AC-36796 | BRD-A38747044-001-01-5 | J-012207 | 2-(2-ethyl-3H-1-benzofuran-2-yl)

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Antagonist of the atypical imidazoline binding site (putative I3receptor) of pancreaticβ-cells. Selectively blocks efaroxan-induced insulin secretionin vitroandin vivo.

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.

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

Pubchem Sid

488194811

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194811

Canonical Smiles

CCC1(CC2=CC=CC=C2O1)C3=NC=CN3

IUPAC Name

2-(2-ethyl-3H-1-benzofuran-2-yl)-1H-imidazole

InChIKey

JCWVNNMJXQJVNC-UHFFFAOYSA-N

INCHI

1S/C13H14N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-8H,2,9H2,1H3,(H,14,15)

Isomeric SMILES

CCC1(CC2=CC=CC=C2O1)C3=NC=CN3

Molecular Weight

214.26

Reaxy-Rn

8836387

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8836387&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Coumarans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Coumarans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarans
• Alternative Parents: Alkyl aryl ethers Benzenoids Imidazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Alkyl aryl ether - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran 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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 21.43, Max Conc. mM: 100
• Molecular Weight: 214.260 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.111 Da
• Monoisotopic Mass: 214.111 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 258.000
• 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: 1

Frequently Asked Questions

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 should this product be stored?

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

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 189224-48-4, the molecular formula is C13H14N2O, and the molecular weight is 214.26 g/mol. InChIKey JCWVNNMJXQJVNC-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.