RP-64477 - ≥98% , CAS No.135239-65-5

CAS: 135239-65-5 Cat. No.: R412569 Fórmula: C₂₉H₄₂N₂O₃S Peso molecular: 498.72 PubChem CID: 9870538

GRADE & PURITY ≥98%

Synonyms

UNII-K10EML8B3S | Benzamide, n-butyl-3-((4-(decyloxy)benzoyl)amino)-4-(methylthio)- | MS-29261 | N'-Butyl-4-(decyloxy)-4'-(methylthio)-N,3'-bibenzamide | K10EML8B3S | N-butyl-3-(4-(decyloxy)benzamido)-4-(methylthio)benzamide | N-butyl-3-(p-decyloxybenzami

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

RP-64477 RP-64477 is a potent inhibitor of the cholesterol esterifying enzyme Acyl-coenzyme A:cholesterol O-acyltransferase (ACAT) . RP-64477 inhibits ACAT activity with IC50 of 113 nM, 503 nM, and 180 nM in human intestinal (CaCo-2), hepatic (HepG2) and monocytic (THP-1) cell assays, respectively.

Targets

ACAT (CaCo-2 cell-based assay); ACAT (THP-1 cell-based assay); ACAT (HepG2 cell-based assay) 113 nM; 180 nM; 503 nM

Specifications

Sinónimos

UNII-K10EML8B3S | Benzamide, n-butyl-3-((4-(decyloxy)benzoyl)amino)-4-(methylthio)- | MS-29261 | N'-Butyl-4-(decyloxy)-4'-(methylthio)-N,3'-bibenzamide | K10EML8B3S | N-butyl-3-(4-(decyloxy)benzamido)-4-(methylthio)benzamide | N-butyl-3-(p-decyloxybenzami

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

RP-64477 is a potent inhibitor of the cholesterol esterifying enzyme Acyl-coenzyme A:cholesterol O-acyltransferase (ACAT). RP-64477 inhibits ACAT activity with IC50 of 113 nM, 503 nM, and 180 nM in human intestinal (CaCo-2), hepatic (HepG2) and monocytic

Condiciones de almacenamiento de almacenamiento

Protected from light,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%

Propiedades del producto

ALogP

7.742

Recuento HBD

2

Enlace rotable

17

Nombres e identificadores

Pubchem Sid

504765019

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765019

Sonrisas canónicas

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCCC)SC

IUPAC Name

N-butyl-3-[(4-decoxybenzoyl)amino]-4-methylsulfanylbenzamide

InChIKey

OZMWNRSILHTVFV-UHFFFAOYSA-N

INCHI

1S/C29H42N2O3S/c1-4-6-8-9-10-11-12-13-21-34-25-17-14-23(15-18-25)29(33)31-26-22-24(16-19-27(26)35-3)28(32)30-20-7-5-2/h14-19,22H,4-13,20-21H2,1-3H3,(H,30,32)(H,31,33)

Isómeros SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCCC)SC

PubChem CID

9870538

Peso molecular

498.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: P-sulfanylbenzoic acids and derivatives Benzamides Thiophenol ethers Phenoxy compounds Phenol ethers Benzoyl derivatives Alkylarylthioethers Alkyl aryl ethers Secondary carboxylic acid amides Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - P-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Aryl thioether - Thiophenol ether - Phenol ether - Benzoyl - Alkylarylthioether - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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: Solubility (25°C) In vitro DMSO: 100 mg/mL (200.51 mM); Water: Insoluble; Ethanol: Insoluble
• Sensibilidad: light sensitive
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 200.513314084055
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 498.700 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 498.292 Da
• Monoisotopic Mass: 498.292 Da
• Topological Polar Surface Area: 92.700 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 580.000
• 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