m-PEG6-NHS ester , CAS No.1449390-12-8

CAS: 1449390-12-8 Cat. No.: M412462 Peso molecular: 421.4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Descripción general

Information

m-PEG6-NHS ester is a non-cleavable 5-unit PEG ADC linker applied into the synthesis of antibody-drug conjugates (ADCs).

Specifications

Mecanismos bioquímicos y fisiológicos

m-PEG6-NHS ester is a non-cleavable 5-unit PEG ADC linker applied into the synthesis of antibody-drug conjugates (ADCs).

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Nombres e identificadores

• Sonrisas canónicas: COCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: KIIPLYSZOISNAS-UHFFFAOYSA-N
• INCHI: 1S/C18H31NO10/c1-23-6-7-25-10-11-27-14-15-28-13-12-26-9-8-24-5-4-18(22)29-19-16(20)2-3-17(19)21/h2-15H2,1H3
• Isómeros SMILES: COCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• Peso molecular: 421.4
• Reaxy-Rn: 42174515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42174515&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine 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

• Solubilidad: Solubility (25°C) In vitro
• Peso molecular: 421.400 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 20
• Exact Mass: 421.195 Da
• Monoisotopic Mass: 421.195 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 458.000
• 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