Boc-NH-PEG12-CH2CH2COOH - ≥98% , CAS No.1415981-79-1

CAS: 1415981-79-1 Cat. No.: B412743 Fórmula: C₃₂H₆₃NO₁₆ Peso molecular: 717.84

GRADE & PURITY ≥98%

Synonyms

AKOS030213562 | 5,8,11,14,17,20,23,26,29,32,35,38-Dodecaoxa-2-azahentetracontanedioic acid, 1-(1,1-dimethylethyl) ester | GS-9459 | 2,2-Dimethyl-4-oxo-3,8,11,14,17,20,23,26,29,32,35,38,41-tridecaoxa-5-azatetratetracontan-44-oic acid | D84667 | BP-21639 |

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Information

Boc-NH-PEG12-CH2CH2COOH is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Specifications

Sinónimos

AKOS030213562 | 5,8,11,14,17,20,23,26,29,32,35,38-Dodecaoxa-2-azahentetracontanedioic acid, 1-(1,1-dimethylethyl) ester | GS-9459 | 2,2-Dimethyl-4-oxo-3,8,11,14,17,20,23,26,29,32,35,38,41-tridecaoxa-5-azatetratetracontan-44-oic acid | D84667 | BP-21639 |

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Boc-NH-PEG12-CH2CH2COOH is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528763604

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528763604

Sorrisos canónicos

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O

IUPAC Name

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

InChIKey

QMJVJXMTYZIZKH-UHFFFAOYSA-N

INCHI

1S/C32H63NO16/c1-32(2,3)49-31(36)33-5-7-38-9-11-40-13-15-42-17-19-44-21-23-46-25-27-48-29-28-47-26-24-45-22-20-43-18-16-41-14-12-39-10-8-37-6-4-30(34)35/h4-29H2,1-3H3,(H,33,36)(H,34,35)

SMILES isoméricas

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O

Peso molecular

717.84

Reaxy-Rn

15516983

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15516983&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro
• Sensibilidade: light sensitive
• Peso molecular: 717.800 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 41
• Exact Mass: 717.415 Da
• Monoisotopic Mass: 717.415 Da
• Topological Polar Surface Area: 186.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 713.000
• 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