éster N-succinimidílico del ácido 4-azido-2,3,5,6-tetrafluorobenzoico - ≥97% , CAS No.126695-58-7

CAS: 126695-58-7 Cat. No.: A131078 Peso molecular: 332.167 Número EC: 808-188-3

GRADE & PURITY ≥97%

Synonyms

1-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)oxy]pyrrolidine-2,5-dione | N-Succinimidyl 4-Azido-2,3,5,6-tetrafluorobenzoate;4-azido-2,3,5,6-tetrafluorobenzoic acid 2,5-dioxo-pyrrolidin-1-yl ester | 4-Azido-2,3,5,6-tetrafluorobenzoic Acid N-Succinimidyl ester |

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

Descripción del producto:

el éster 4-N3Pfp-NHS es un enlazador ADC no eliminable utilizado en la síntesis de conjugados anticuerpo-fármaco (ADC).

Specifications

Sinónimos

1-[(4-Azido-2, 3, 5, 6-tetrafluorobenzoyl)oxy]pyrrolidine-2, 5-dione | N-Succinimidyl 4-Azido-2, 3, 5, 6-tetrafluorobenzoate;4-azido-2, 3, 5, 6-tetrafluorobenzoic acid 2, 5-dioxo-pyrrolidin-1-yl ester | 4-Azido-2, 3, 5, 6-tetrafluorobenzoic Acid N-Succinimidyl ester |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC(=O)N(C1=O)OC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)F
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-azido-2,3,5,6-tetrafluorobenzoate
• InChIKey: HCTLWQSYGIBOFM-UHFFFAOYSA-N
• INCHI: 1S/C11H4F4N4O4/c12-6-5(7(13)9(15)10(8(6)14)17-18-16)11(22)23-19-3(20)1-2-4(19)21/h1-2H2
• Isómeros SMILES: C1CC(=O)N(C1=O)OC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)F
• Peso molecular: 332.167
• Reaxy-Rn: 3633642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3633642&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives Phenylazides Benzoyl derivatives Fluorobenzenes Pyrrolidine-2-ones Aryl fluorides Vinylogous halides Dicarboximides Azo compounds Azo imides Lactams Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Phenylazide - Benzoyl - Halobenzene - Fluorobenzene - Pyrrolidone - 2-pyrrolidone - Aryl fluoride - Aryl halide - Dicarboximide - Pyrrolidine - Vinylogous halide - Azo imide - Azo compound - Lactam - Carboxylic acid salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Punto de fusión (°C): 113 °C
• Peso molecular: 332.170 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 332.017 Da
• Monoisotopic Mass: 332.017 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 552.000
• 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