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

CAS: 1428629-71-3 Cat. No.: D587226 分子式: C₁₄H₁₉NO₇ 分子量: 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

概要

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

同義語

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

仕様と純度

≥97%

保管条件

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

≥97%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: C#CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• 分子量: 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
    • 分類 Pyrrolidines
      • Subclass Pyrrolidones

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

化学的性質と物理的性質

• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1428629-71-3, the molecular formula is C14H19NO7, and the molecular weight is 313.3 g/mol. InChIKey YDRPXORAOIYIGV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.