NBD-557 - ≥98% , CAS No.333352-59-3

CAS: 333352-59-3 Cat. No.: N125473 Fórmula: C₁₇H₂₄BrN₃O₂ Peso molecular: 382.3

GRAU & PUREZA ≥98%

Synonyms

N-(4-Bromophenyl)-N'-(2,2,6,6-Tetramethylpiperidin-4-Yl)ethanediamide | A923894 | N'-(4-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide | NBD-557 | HY-76649 | N-(4-Bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)-oxalamide | AKOS000345563 | E

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

NBD-557 is a potentially HIV-1 inhibitor.

Especificações

Sinónimos

N-(4-Bromophenyl)-N'-(2,2,6,6-Tetramethylpiperidin-4-Yl)ethanediamide | A923894 | N'-(4-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide | NBD-557 | HY-76649 | N-(4-Bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)-oxalamide | AKOS000345563 | E

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

NBD-557, is small molecule organic compounds with drug-like properties. It showed potent cell fusion and virus-cell fusion inhibitory activity at low micromolar levels. A systematic study showed that NBD-557 target viral entry by inhibiting the binding of

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508810993

Sorrisos canónicos

CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NC2=CC=C(C=C2)Br)C

IUPAC Name

N'-(4-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

InChIKey

QQRFLGRIDNNARB-UHFFFAOYSA-N

INCHI

1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)

SMILES isoméricas

CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NC2=CC=C(C=C2)Br)C

Peso molecular

382.3

Reaxy-Rn

10576237

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10576237&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Anilides N-arylamides Bromobenzenes Piperidines Aryl bromides Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO
• Peso molecular: 382.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 381.105 Da
• Monoisotopic Mass: 381.105 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 441.000
• 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