RP-64477 - ≥98% , CAS No.135239-65-5

CAS: 135239-65-5 Cat. No.: R412569 Formule: C₂₉H₄₂N₂O₃S Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

ALogP

7.742

Nombre de HBD

2

Liaison rotative

17

Noms et identifiants

Pubchem Sid

504765019

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

PubChem CID

9870538

Poids moléculaire

498.72

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 100 mg/mL (200.51 mM); Water: Insoluble; Ethanol: Insoluble
• Sensibilité: light sensitive
• DMSO (mg/mL) Solubilité maximale: 100
• DMSO (mM) Solubilité maximale: 200.513314084055
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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