MUN57694 - ≥98% , CAS No.858557-69-4

CAS: 858557-69-4 Cat. No.: M413610 Fórmula: C₂₃H₂₅N₃O₄ Peso molecular: 407.46

GRADE & PURITY ≥98%

Synonyms

(2,6-Dimethoxyphenyl)[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Visão geral

MUN57694 is an inhibitor of 26S Proteasome.

Specifications

Sinónimos

(2,6-Dimethoxyphenyl)[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

MUN57694 is an inhibitor of 26S proteasome with no formal name.

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508810714
• Sorrisos canónicos: CC1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)C(=O)C4=C(C=CC=C4OC)OC
• IUPAC Name: (2,6-dimethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• InChIKey: MPMGADZKWJDRRX-UHFFFAOYSA-N
• INCHI: 1S/C23H25N3O4/c1-15-7-9-16(10-8-15)21-24-22(30-25-21)17-11-13-26(14-12-17)23(27)20-18(28-2)5-4-6-19(20)29-3/h4-10,17H,11-14H2,1-3H3
• SMILES isoméricas: CC1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)C(=O)C4=C(C=CC=C4OC)OC
• Peso molecular: 407.46
• Reaxy-Rn: 25758608
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25758608&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzoylpiperidines
• Alternative Parents: N-benzoylpiperidines Phenyloxadiazoles Dimethoxybenzenes Benzamides Phenoxy compounds Anisoles Toluenes Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzoylpiperidine - 1-benzoylpiperidine - Phenyl-1,2,4-oxadiazole - M-dimethoxybenzene - Dimethoxybenzene - N-acyl-piperidine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Piperidine - 1,2,4-oxadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Oxadiazole - Azole - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Peso molecular: 407.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 407.185 Da
• Monoisotopic Mass: 407.185 Da
• Topological Polar Surface Area: 77.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 549.000
• 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