Tos-PEG4-CH2-Boc - ≥95% , CAS No.169751-73-9

CAS: 169751-73-9 Cat. No.: T412732 분자식: C₂₁H₃₄O₉S 분자량: 462.55 PubChem CID: 77078235

등급 & 순도 ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

개요

Information

Tos-PEG4-CH2-Boc is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

사양

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

Tos-PEG4-CH2-Boc is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

528767524

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528767524

정식 스마일

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCC(=O)OC(C)(C)C

IUPAC Name

tert-butyl 2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]acetate

InChIKey

CZZJVKUJUYLGPU-UHFFFAOYSA-N

INCHI

1S/C21H34O9S/c1-18-5-7-19(8-6-18)31(23,24)29-16-15-27-12-11-25-9-10-26-13-14-28-17-20(22)30-21(2,3)4/h5-8H,9-17H2,1-4H3

이성체 SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCC(=O)OC(C)(C)C

PubChem CID

77078235

분자량

462.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonate esters
• Alternative Parents: p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
• 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
• 분자량: 462.600 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 18
• Exact Mass: 462.192 Da
• Monoisotopic Mass: 462.192 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 573.000
• 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