SBC-110736 - 10mM in DMSO , CAS No.1629166-02-4

CAS: 1629166-02-4 Cat. No.: S421998 Formule: C₂₆H₂₇N₃O₂ Poids moléculaire: 413.51 PubChem CID: 78425817

GRADE & PURITY 10mM in DMSO

Synonyms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

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

Targets

PCSK9

Specifications

Synonymes

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

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Propriétés du produit

ALogP

4.092

Nombre de HBD

1

Liaison rotative

4

Noms et identifiants

Pubchem Sid

528767049

Sourires canoniques

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)

Isomères 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

Poids moléculaire

413.51

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 83
• DMSO (mM) Solubilité maximale: 200.720659718024
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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