Cetaben - ≥98% , CAS No.55986-43-1

CAS: 55986-43-1 Cat. No.: C334805 분자식: C₂₃H₃₉NO₂ 분자량: 361.6

GRADE & PURITY ≥98%

Synonyms

Benzoic acid, 4-(hexadecylamino)- | Cetabenum | 4-(n-Hexadecylamino)benzoic acid | 4-(n-hexadecylamino)-benzoic acid | FT-0603002 | HY-119964 | AKOS032947282 | MS-25733 | SR-01000944982-2 | Cetaben | SR-01000944982-1 | DTL5W0113X | SCHEMBL2112078 | UNII-D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

228,229

개요

Peroxisome Proliferator, Cetaben is a compound that can permeate the cell and act independent of the peroxisome proliferator-activated receptor α (PPARα). In addition, it has been shown to inhibit the activity of acyl-CoA:cholesterol acyltransferase (ACAT). The compound has hypolipidemic activity and research shows that it can reduce serum triglyceride and cholesterol concentrations in rats. It has the ability to inhibit cholesterol production in human hepatoma Hep-G2 cells, which can cause reversible changes to the Golgi morphology.

Specifications

동의어

Benzoic acid, 4-(hexadecylamino)- | Cetabenum | 4-(n-Hexadecylamino)benzoic acid | 4-(n-hexadecylamino)-benzoic acid | FT-0603002 | HY-119964 | AKOS032947282 | MS-25733 | SR-01000944982-2 | Cetaben | SR-01000944982-1 | DTL5W0113X | SCHEMBL2112078 | UNII-D

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

참고

For preparation of stock solution, dissolve cataben in an organic solvent purged with an inert gas.

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504753639
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753639
• 정식 스마일: CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O
• IUPAC Name: 4-(hexadecylamino)benzoic acid
• InChIKey: QXWKHSSBFQDQPR-UHFFFAOYSA-N
• INCHI: 1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23(25)26/h16-19,24H,2-15,20H2,1H3,(H,25,26)
• 이성체 SMILES: CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O
• 분자량: 361.6
• Reaxy-Rn: 2748166
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2748166&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: Benzoic acids Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Benzoic acid - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• 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(비인간)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: In DMSO and then diluted in aqueous buffer. Soluble in 0.15mg/ml in a 1:1 solution of DMSO:PBS (pH 7.2). Do not store solution more then one day.
• 분자량: 361.600 g/mol
• XLogP3: 9.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 361.298 Da
• Monoisotopic Mass: 361.298 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 324.000
• 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