SMIP004 - ≥98% , CAS No.143360-00-3

CAS: 143360-00-3 Cat. No.: S124937 分子式: C₁₃H₁₉NO 分子量: 205.3 EC番号: 861-489-1 PubChem CID: 2747581

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

カノニカル・スマイル

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)

異性体SMILES

CCCCC1=CC(=C(C=C1)NC(=O)C)C

PubChem CID

2747581

分子量

205.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: 25°C: DMSO
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 143360-00-3, the molecular formula is C13H19NO, and the molecular weight is 205.3 g/mol. InChIKey ZFVMECVBUGMWIX-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.