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

CAS: 1977493-48-3 Cat. No.: M412465 분자식: C₂₅H₅₃NO₁₂ 분자량: 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

개요

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

동의어

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

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

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).

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%

제품 특성

• ALogP: -2.219
• hba_count: 12
• HBD 수: 1
• 회전 가능한 결합: 35

이름과 식별자

• Pubchem Sid: 504771038
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771038
• 정식 스마일: 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
• 이성체 SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
• 분자량: 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
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro Ethanol: mg/mL
• 분자량: 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