Bis-PEG6-NHS ester - ≥98% , CAS No.1526718-98-8

CAS: 1526718-98-8 Cat. No.: B595048 分子式: C₂₄H₃₆N₂O₁₄ 分子量: 576.55

GRADE & PURITY ≥98%

Synonyms

Bis(2,5-dioxopyrrolidin-1-yl) 4,7,10,13,16,19-hexaoxadocosanedioate

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Bis-PEG6-NHS ester is a PEG-based PROTAC linker can be used in the synthesis of PROTACs. Bis-PEG6-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

Specifications

同義語

Bis(2,5-dioxopyrrolidin-1-yl) 4,7,10,13,16,19-hexaoxadocosanedioate

仕様と純度

≥98%

保管条件

Protected from light,Store at -20°C,Argon charged

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。

純度

≥98%

名前と識別子

カノニカル・スマイル

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

InChIKey

FDLGRFGWAMAWTE-UHFFFAOYSA-N

INCHI

1S/C24H36N2O14/c27-19-1-2-20(28)25(19)39-23(31)5-7-33-9-11-35-13-15-37-17-18-38-16-14-36-12-10-34-8-6-24(32)40-26-21(29)3-4-22(26)30/h1-18H2

異性体SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

分子量

576.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Lactams Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

化学的性質と物理的性質

• 溶解度: Solubility in DMSO, DCM
• 感度: Light sensitive，Moisture sensitive
• 分子量: 576.500 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 25
• Exact Mass: 576.217 Da
• Monoisotopic Mass: 576.217 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 751.000
• 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