Propargyl-PEG3-NHS ester - ≥97% , CAS No.1428629-71-3

CAS: 1428629-71-3 Cat. No.: D587226 Peso molecular: 313.3

GRADE & PURITY ≥97%

Synonyms

AKOS030630034 | Propargyl-PEG2-CH2CH2COONHS | Propargyl-PEG3-NHS ester | HY-126974 | (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoate | ZB0909 | Alkyne-PEG3-NHS | SCHEMBL17776277 | 1428629-71-3 | AS-77059 | DTXSID101123098 | 2,5-Dio

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Propargyl-PEG3-NHS ester is a PEG/Alkyl/ether-based PROTAC linker can be used in the synthesis of PROTACs. Propargyl-PEG3-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Specifications

Sinónimos

AKOS030630034 | Propargyl-PEG2-CH2CH2COONHS | Propargyl-PEG3-NHS ester | HY-126974 | (2, 5-dioxopyrrolidin-1-yl) 3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoate | ZB0909 | Alkyne-PEG3-NHS | SCHEMBL17776277 | 1428629-71-3 | AS-77059 | DTXSID101123098 | 2, 5-Dio

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C#CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoate
• InChIKey: YDRPXORAOIYIGV-UHFFFAOYSA-N
• INCHI: 1S/C14H19NO7/c1-2-6-19-8-10-21-11-9-20-7-5-14(18)22-15-12(16)3-4-13(15)17/h1H,3-11H2
• Isómeros SMILES: C#CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• Peso molecular: 313.3
• Reaxy-Rn: 31844483
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31844483&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 Acetylides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Lactam - Carboxylic acid derivative - Dialkyl ether - Acetylide - 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

• Peso molecular: 313.300 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 313.116 Da
• Monoisotopic Mass: 313.116 Da
• Topological Polar Surface Area: 91.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 424.000
• 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