Hydroxy-PEG6-t-butyl ester - ≥95% , CAS No.361189-64-2

CAS: 361189-64-2 Cat. No.: H463462 分子式: C₁₉H₃₈O₉ 分子量: 410.5 EC番号: 851-156-9

GRADE & PURITY ≥95%

Synonyms

A913570 | SY236938 | alpha-Hydroxy-omega-carboxy t-butyl ester hexa(ethylene glycol) | AMY30992 | HO-PEG6-CO-OtBu | MFCD13185017 | AKOS030213556 | BP-20414 | OH-PEG6-CH2CH2COOtBu | HO-PEG(6)-CO-OTBU | HO-PEG6-CH2CH2COOtBu | S10651 | HY-141203 | tert-butyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Description

This heterobifunctional, PEGylated crosslinker features a hydroxyl group at one end and t-butyl-protected carboxylic acid at the other, which can be deprotected with acidic conditions. The hydrophillic PEG linker facilitates solubility in biological applications. Hydroxy-PEG6-t-butyl ester can be used for bioconjugation or as a building block for synthesis of small molecules, conjugates of small molecules and/or biomolecules, or other tool compounds for chemical biology and medicinal chemistry that require ligation. Examples of applications include its synthetic incorporation into antibody-drug conjugates or roteolysis-targeting chimeras (PROTAC®molecules) fortargeted protein degradation.

Specifications

同義語

A913570 | SY236938 | alpha-Hydroxy-omega-carboxy t-butyl ester hexa(ethylene glycol) | AMY30992 | HO-PEG6-CO-OtBu | MFCD13185017 | AKOS030213556 | BP-20414 | OH-PEG6-CH2CH2COOtBu | HO-PEG(6)-CO-OTBU | HO-PEG6-CH2CH2COOtBu | S10651 | HY-141203 | tert-butyl

仕様と純度

≥95%

法的情報

PROTAC is a registered trademark of Arvinas Operations, Inc., and is used under license

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

≥95%

名前と識別子

パブケム・シド

488201499

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488201499

カノニカル・スマイル

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCO

IUPAC Name

tert-butyl 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

InChIKey

VGGDPFAYSOSIOK-UHFFFAOYSA-N

INCHI

1S/C19H38O9/c1-19(2,3)28-18(21)4-6-22-8-10-24-12-14-26-16-17-27-15-13-25-11-9-23-7-5-20/h20H,4-17H2,1-3H3

異性体SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCO

分子量

410.5

Reaxy-Rn

22239652

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22239652&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• 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

• 屈折率: n/D 1.454
• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 410.500 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 22
• Exact Mass: 410.252 Da
• Monoisotopic Mass: 410.252 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 345.000
• 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 ≥95% 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 361189-64-2, the molecular formula is C19H38O9, and the molecular weight is 410.5 g/mol. InChIKey VGGDPFAYSOSIOK-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.