Oxiperomide , CAS No.5322-53-2

CAS: 5322-53-2 Cat. No.: O667947 Fórmula: C₂₀H₂₃N₃O₂ Peso molecular: 337.4 Número EC: 847-489-4 PubChem CID: 68634

Synonyms

Oxiperomide|Peromide|R 4714|3-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-benzimidazol-2-one|1-[1-(2-phenoxyethyl)piperidin-4-yl]-1,3-dihydro-2h-benzimidazol-2-one|R-4714|Oxiperomidum|1-(1-(2-Phenoxyethyl)-4-piperidyl)-2-benzimidazolinone|1-[1-(2-Phenoxyethyl)-4-piperidyl]-2-benzimidazolinone|Oxiperomida|2-Benzimidazolinone, 1-[1-(2-phenoxyethyl)-4-piperidyl]-|2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-(2-phenoxyethyl)-4-piperidinyl)-|Oxiperomide [USAN:INN]|Oxiperomidum [INN-Latin]|Oxiperomida [INN-Spanish]|2-Benzimidazolinone, 1-(1-(2-phenoxyethyl)-4-piperidyl)-|OXIPEROMIDE [INN]|Oxiperomide (USAN/INN)|OXIPEROMIDE [USAN]|{1-[1-(2-Phenoxyethyl)-4-piperidyl]-2-benzimidazolinone}|3-[1-(2-phenoxyethyl)-4-piperidyl]-1H-benzimidazol-2-one|2-Benzimidazolinone, {1-[1-(2-phenoxyethyl)-4-piperidyl]-}|1-(1-(2-Phenoxyethyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one|1-(1-(2-phenoxyethyl)piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one|2H-Benzimidazol-2-one,3-dihydro-1-[1-(2-phenoxyethyl)-4-piperidinyl]-|1-(1-(2-phenoxyethyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one|1-[1-(2-phenoxyethyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one|2H-Benzimidazol-2-one, 1, {3-dihydro-1-[1-(2-phenoxyethyl)-4-piperidinyl]-}

Storage

Room temperature

Especificaciones

Sinónimos

Oxiperomide | Peromide | R 4714 | 3-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-benzimidazol-2-one | 1-[1-(2-phenoxyethyl)piperidin-4-yl]-1,3-dihydro-2h-benzimidazol-2-one | R-4714 | Oxiperomidum | 1-(1-(2-Phenoxyethyl)-4-piperidyl)-2-benzimidazolinone | 1-[1-(2-Phenoxyethyl)-4-piperidyl]-2-benzimidazolinone | Oxiperomida | 2-Benzimidazolinone, Show more

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Propiedades del producto

ALogP

3.6

Nombres e identificadores

Sonrisas canónicas

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCOC4=CC=CC=C4

IUPAC Name

3-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-benzimidazol-2-one

InChIKey

NVDBBGBUTKLRSN-UHFFFAOYSA-N

INCHI

1S/C20H23N3O2/c24-20-21-18-8-4-5-9-19(18)23(20)16-10-12-22(13-11-16)14-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,21,24)

Isómeros SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCOC4=CC=CC=C4

PubChem CID

68634

Peso molecular

337.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Piperidines N-substituted imidazoles Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Urea - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Objetivos asociados (humanos)

DRD2 Tclin D(2) dopamine receptor (1 Activities)

Discover Target: DRD2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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Liver microsomes (16955 Activities)

Explore this target

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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

CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

Discover Target: CGA

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Objetivos asociados (no humanos)

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

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 337.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 337.179 Da
• Monoisotopic Mass: 337.179 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 444.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5322-53-2, the molecular formula is C20H23N3O2, and the molecular weight is 337.4 g/mol. InChIKey NVDBBGBUTKLRSN-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.