m-PEG12-amine - 10mM in DMSO , CAS No.1977493-48-3

CAS: 1977493-48-3 Cat. No.: M422399 分子式: C₂₅H₅₃NO₁₂ 分子量: 559.69

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

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

10mM in DMSO

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 -80°C

入荷

Dry ice packs + Cold packs

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。

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

528776267

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

• 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