AWD 131-138 - ≥98% , CAS No.188116-07-6

CAS: 188116-07-6 Cat. No.: A413268 Molecular Weight: 279.72 EC Number: 692-636-6

GRADE & PURITY ≥98%

Synonyms

1-(4-Chlorophenyl)-1,5-dihydro-4-(4-morpholinyl)-2H-imidazol-2-one | ADD-233089 | imepitoinum | AC-36287 | Imepitoin | imepitoine | BCP08396 | HMS3886O19 | 2H-Imidazol-2-one, 1-(4-chlorophenyl)-1,5-dihydro-4-(4-morpholinyl)- | IMEPITOIN [EMA EPAR VETERINA

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

AWD 131-138 AWD 131-138 (Imepitoin, ELB-138) is a centrally acting anti-epileptic which crosses the blood brain barrier and is used for the treatment of canine idiopathic epilepsy. AWD 131-138 (Imepitoin) is an antiepileptic and antianxietic drug, AWD 131-138 can stimulate different recombinant isoforms of the rat GABA(A) receptor through the benzodiazepine binding site.

Specifications

Synonyms

1-(4-Chlorophenyl)-1, 5-dihydro-4-(4-morpholinyl)-2H-imidazol-2-one | ADD-233089 | imepitoinum | AC-36287 | Imepitoin | imepitoine | BCP08396 | HMS3886O19 | 2H-Imidazol-2-one, 1-(4-chlorophenyl)-1, 5-dihydro-4-(4-morpholinyl)- | IMEPITOIN [EMA EPAR VETERINA

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

AWD 131-138 (Imepitoin, ELB-138) is a centrally acting anti-epileptic which crosses the blood brain barrier and is used for the treatment of canine idiopathic epilepsy. AWD 131-138 (Imepitoin) is an antiepileptic and antianxietic drug, AWD 131-138 can sti

Storage

Protected from light, 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

AGONIST

Purity

≥98%

Product Properties

• ALogP: 1.44
• hba_count: 3
• Rotatable Bond: 2

Names and Identifiers

• Pubchem Sid: 504762407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762407
• Canonical Smiles: C1COCCN1C2=NC(=O)N(C2)C3=CC=C(C=C3)Cl
• IUPAC Name: 3-(4-chlorophenyl)-5-morpholin-4-yl-4H-imidazol-2-one
• InChIKey: IQHYCZKIFIHTAI-UHFFFAOYSA-N
• INCHI: 1S/C13H14ClN3O2/c14-10-1-3-11(4-2-10)17-9-12(15-13(17)18)16-5-7-19-8-6-16/h1-4H,5-9H2
• Isomeric SMILES: C1COCCN1C2=NC(=O)N(C2)C3=CC=C(C=C3)Cl
• Molecular Weight: 279.72
• Reaxy-Rn: 8917426
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8917426&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Morpholines Aryl chlorides Imidazolines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Carboximidamides Carboxamidines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - 3-imidazoline - Amidine - Carboxylic acid amidine - Dialkyl ether - Ether - Oxacycle - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Cynomolgus monkey (4946 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Gabrp GABA-A receptor; anion channel (5731 Activities)

Discover Target: Gabrp

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 30 mg/mL (107.25 mM); Ethanol: 2 mg/mL (7.15 mM); Water: Insoluble
• Sensitivity: light sensitive
• DMSO(mg / mL) Max Solubility: 30
• DMSO(mM) Max Solubility: 107.250107250107
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 279.720 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 279.077 Da
• Monoisotopic Mass: 279.077 Da
• Topological Polar Surface Area: 45.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 374.000
• 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: 1