SMIP004 - ≥98% , CAS No.143360-00-3

CAS: 143360-00-3 Cat. No.: S124937 Peso molecular: 205.3 Número EC: 861-489-1 PubChem CID: 2747581

GRADE & PURITY ≥98%

Synonyms

Acetamide,N-(4-butyl-2-methylphenyl)- | SMIP004 | MFCD00277686 | N-(4-butyl-2-methyl-phenyl) acetamide | A909882 | AKOS015908670 | DTXSID40372672 | FT-0629671 | TS-00364 | 4'-(But-1-yl)-2'-methylacetanilide | HY-15694 | N-(4-butyl-2-methylphenyl)acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Acetamide, N-(4-butyl-2-methylphenyl)- | SMIP004 | MFCD00277686 | N-(4-butyl-2-methyl-phenyl) acetamide | A909882 | AKOS015908670 | DTXSID40372672 | FT-0629671 | TS-00364 | 4'-(But-1-yl)-2'-methylacetanilide | HY-15694 | N-(4-butyl-2-methylphenyl)acetamide

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Description:
IC50 Value: 1.09 uM (MTT assay in LNCaP-S14 cells) [1]
SMIP004 (N-(4-butyl-2-methyl-phenyl) acetamide) is a novel inducer of cancer-cell selective apoptosis of human prostate cancer cells. Unlike SMIP001, SMIP004 wa

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCC1=CC(=C(C=C1)NC(=O)C)C
• IUPAC Name: N-(4-butyl-2-methylphenyl)acetamide
• InChIKey: ZFVMECVBUGMWIX-UHFFFAOYSA-N
• INCHI: 1S/C13H19NO/c1-4-5-6-12-7-8-13(10(2)9-12)14-11(3)15/h7-9H,4-6H2,1-3H3,(H,14,15)
• Isómeros SMILES: CCCCC1=CC(=C(C=C1)NC(=O)C)C
• PubChem CID: 2747581
• Peso molecular: 205.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Toluenes Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - Toluene - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl 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

Propiedades químicas y físicas

• Solubilidad: 25°C: DMSO
• Peso molecular: 205.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 205.147 Da
• Monoisotopic Mass: 205.147 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 203.000
• 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