Retro 2 - ≥98% , CAS No.1201652-50-7

CAS: 1201652-50-7 Cat. No.: R413016 分子式: C₁₉H₁₆N₂OS 分子量: 320.41 PubChem CID: 727405

グレード＆純度 ≥98%

Synonyms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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.

仕様

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

528766950

カノニカル・スマイル

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)

異性体SMILES

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

PubChem CID

727405

分子量

320.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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