SBC-110736 - ≥98% , CAS No.1629166-02-4

CAS: 1629166-02-4 Cat. No.: S412188 Fórmula: C₂₆H₂₇N₃O₂ Peso molecular: 413.51 PubChem CID: 78425817

CALIDAD & PUREZA ≥98%

Synonyms

N-[4-(2-Phenyl-4-p-tolyl-piperazine-1-carbonyl)-phenyl]-acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

SBC-110736 SBC-110736 is an inhibitor of proprotein convertase subtilisin kexin type 9 (PCSK9) that lowers cholesterol levels in mice.

Targets

PCSK9

Especificaciones

Sinónimos

N-[4-(2-Phenyl-4-p-tolyl-piperazine-1-carbonyl)-phenyl]-acetamide

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

SBC-110736 is an inhibitor of proprotein convertase subtilisin kexin type 9 (PCSK9) that lowers cholesterol levels in mice.

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%

Propiedades del producto

ALogP

4.092

Recuento HBD

1

Enlace rotable

4

Nombres e identificadores

Pubchem Sid

504772439

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772439

Sonrisas canónicas

CC1=CC=C(C=C1)N2CCN(C(C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)NC(=O)C

IUPAC Name

N-[4-[4-(4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]acetamide

InChIKey

PILMFSWQYWYOJC-UHFFFAOYSA-N

INCHI

1S/C26H27N3O2/c1-19-8-14-24(15-9-19)28-16-17-29(25(18-28)21-6-4-3-5-7-21)26(31)22-10-12-23(13-11-22)27-20(2)30/h3-15,25H,16-18H2,1-2H3,(H,27,30)

Isómeros SMILES

CC1=CC=C(C=C1)N2CCN(C(C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)NC(=O)C

PubChem CID

78425817

Peso molecular

413.51

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Phenylpiperazines N-arylpiperazines Acetanilides Benzamides N-acetylarylamines Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aralkylamines Tertiary carboxylic acid amides Acetamides Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - N-arylpiperazine - Phenylpiperazine - Acetanilide - Benzamide - N-acetylarylamine - Anilide - N-arylamide - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminotoluene - Aniline or substituted anilines - Aralkylamine - Toluene - Piperazine - 1,4-diazinane - Acetamide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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: 83 mg/mL (200.72 mM); Ethanol: 3 mg/mL (7.25 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 83
• DMSO (mM) Solubilidad máxima: 200.720659718024
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 413.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 413.21 Da
• Monoisotopic Mass: 413.21 Da
• Topological Polar Surface Area: 52.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 602.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1