Retro 2 - ≥98% , CAS No.1201652-50-7

CAS: 1201652-50-7 Cat. No.: R413016 Formule: C₁₉H₁₆N₂OS Poids moléculaire: 320.41 PubChem CID: 727405

QUALITÉ & PURETÉ ≥98%

Synonyms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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.

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

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.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528766950

Sourires canoniques

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)

Isomères SMILES

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

PubChem CID

727405

Poids moléculaire

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
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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