Retro 2 - ≥98% , CAS No.1201652-50-7

CAS: 1201652-50-7 Cat. No.: R413016 Fórmula: C₁₉H₁₆N₂OS Peso molecular: 320.41 PubChem CID: 727405

GRAU & PUREZA ≥98%

Synonyms

2-{[(5-methyl-2-thienyl)methylene]amino}

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Retro 2 is an inhibitor of plant toxin ricin, protects HeLa cells against Ricin, Stx1 and Stx2, selectively blocks retrograde toxin trafficking at the early endosome-TGN (trans-Golgi network) interface.

Especificações

Sinónimos

2-{[(5-methyl-2-thienyl)methylene]amino}

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Retro 2 is an inhibitor of plant toxin ricin, protects HeLa cells against Ricin, Stx1 and Stx2, selectively blocks retrograde toxin trafficking at the early endosome-TGN (trans-Golgi network) interface.

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

528766950

Sorrisos canónicos

CC1=CC=C(S1)C=NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

IUPAC Name

2-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide

InChIKey

QEGJLRIARJEIPG-UHFFFAOYSA-N

INCHI

1S/C19H16N2OS/c1-14-11-12-16(23-14)13-20-18-10-6-5-9-17(18)19(22)21-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)

SMILES isoméricas

CC1=CC=C(S1)C=NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

PubChem CID

727405

Peso molecular

320.41

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: Benzamides Benzoyl derivatives 2,5-disubstituted thiophenes Heteroaromatic compounds Shiff bases Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Benzoyl - 2,5-disubstituted thiophene - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Shiff base - Carboxylic acid derivative - Aldimine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Imine - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 320.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 320.098 Da
• Monoisotopic Mass: 320.098 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 420.000
• 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