Oxiperomide , CAS No.5322-53-2

CAS: 5322-53-2 Cat. No.: O667947 분자식: C₂₀H₂₃N₃O₂ 분자량: 337.4 EC 번호: 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

사양

동의어

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

보관 조건

Room temperature

작업 유형

INHIBITOR

제품 특성

ALogP

3.6

이름과 식별자

정식 스마일

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)

이성체 SMILES

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

PubChem CID

68634

분자량

337.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

Discover Target: DRD2

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)

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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

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

Liver microsomes (16955 Activities)

Explore this target

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

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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관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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

자주 묻는 질문

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.