m-PEG12-amine - ≥95% , CAS No.1977493-48-3

CAS: 1977493-48-3 Cat. No.: M412465 分子式: C₂₅H₅₃NO₁₂ 分子量: 559.69

GRADE & PURITY ≥95%

Synonyms

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine | HY-140227 | CED49348 | mPEG12-NH2 | MeO-peg12-NH2 | SCHEMBL2552793 | BP-21112 | mPEG-Amine | MFCD11041151 | BCP34421 | 1977

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Application

227,228,229

概要

Information

m-PEG12-amine is a PEG-based PROTAC linker that can be applied into the synthesis of PROTACs. m-PEG12-amine is also a non-cleavable 12-unit PEG ADC linker applied into the synthesis of antibody-drug conjugates (ADCs).

Specifications

同義語

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine | HY-140227 | CED49348 | mPEG12-NH2 | MeO-peg12-NH2 | SCHEMBL2552793 | BP-21112 | mPEG-Amine | MFCD11041151 | BCP34421 | 1977

仕様と純度

≥95%

生化学的・生理学的メカニズム

m-PEG12-amine is a PEG-based PROTAC linker that can be applied into the synthesis of PROTACs. m-PEG12-amine is also a non-cleavable 12-unit PEG ADC linker applied into the synthesis of antibody-drug conjugates (ADCs).

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

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%

製品の性質

• ALogP: -2.219
• hba_count: 12
• HBD数: 1
• 回転可能な結合: 35

名前と識別子

• パブケム・シド: 504771038
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504771038
• カノニカル・スマイル: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
• InChIKey: MSKSQCLPULZWNO-UHFFFAOYSA-N
• INCHI: 1S/C25H53NO12/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-24-25-38-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-26/h2-26H2,1H3
• 異性体SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
• 分子量: 559.69
• Reaxy-Rn: 20040222
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20040222&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl 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 (25°C) In vitro Ethanol: mg/mL
• 分子量: 559.700 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 35
• Exact Mass: 559.357 Da
• Monoisotopic Mass: 559.357 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 413.000
• 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