Thiol-PEG4-Alcohol - ≥97% , CAS No.90952-27-5

CAS: 90952-27-5 Cat. No.: M469947 Summenformel: C₈H₁₈O₄S Molekulargewicht: 210.29 EG-Nummer: 804-584-5

GRADE & PURITY ≥97%

Synonyms

1-mercapto-11-hydroxy-3,6,9-trioxaundecane | 2-{2-[2-(2-Mercaptoethoxy)ethoxy]ethoxy}ethanol | 2-{2-[2-(2-Mercapto-ethoxy)-ethoxy]-ethoxy}-ethanol | DTXSID40440360 | HY-133292 | MFCD22574773 | SCHEMBL3909088 | Thiol-PEG4-Alcohol | BP-20960 | SH-PEG4-OH |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Application：

2-{2-[2-(2-Mercaptoethoxy)ethoxy]ethoxy}ethanol may be used in the synthesis of 2-(2-(2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)ethoxy)ethoxy)ethanol, an nitrobenzoxadiazole (NBD) analog of the anticancer agent 6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexan-1-ol (NBDHEX). This analog is a potent glutathione S-transferase (GST) and a potential therapeutic antimelanoma agent with enhanced water solubility and antitumor efficacy when compared to NBDHEX in a study. Oligo-ehtylene glycol of peptides and small molecules (PEGylation) PEG-disulfide formation ultra-thin protein-resistant monolayers Densely packed monolayer and a flexible-hydrophilic oligo ethylene glycol arm for avoiding non-specific adsorption

Specifications

Synonyme

1-mercapto-11-hydroxy-3,6,9-trioxaundecane | 2-{2-[2-(2-Mercaptoethoxy)ethoxy]ethoxy}ethanol | 2-{2-[2-(2-Mercapto-ethoxy)-ethoxy]-ethoxy}-ethanol | DTXSID40440360 | HY-133292 | MFCD22574773 | SCHEMBL3909088 | Thiol-PEG4-Alcohol | BP-20960 | SH-PEG4-OH |

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504765484
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765484
• Kanonisches Lächeln: C(COCCOCCOCCS)O
• IUPAC Name: 2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethanol
• InChIKey: GKKYNULPAQDGHI-UHFFFAOYSA-N
• INCHI: 1S/C8H18O4S/c9-1-2-10-3-4-11-5-6-12-7-8-13/h9,13H,1-8H2
• Isomere SMILES: C(COCCOCCOCCS)O
• Molekulargewicht: 210.29
• Reaxy-Rn: 8409922
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8409922&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers
        • Ebene5 Dialkyl ethers
          • Ebene6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Alkylthiols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Alkylthiol - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive;Moisture sensitive
• Brechungsindex: 1.481
• Molekulargewicht: 210.290 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 210.093 Da
• Monoisotopic Mass: 210.093 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 92.200
• 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