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 | NSC-313681 | WRO75M6RW2 | MLS003115925 | R-4714 | NSC313681 | Oxiperomidum | 1-(1-(2-Ph

Storage

Room temperature

Specifications

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 | NSC-313681 | WRO75M6RW2 | MLS003115925 | R-4714 | NSC313681 | Oxiperomidum | 1-(1-(2-Ph

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)

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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)

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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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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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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

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

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Liver microsomes (16955 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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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.