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

CAS: 1415981-79-1 Cat. No.: B412743 Summenformel: C₃₂H₆₃NO₁₆ Molekulargewicht: 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

Übersicht

Information

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

Specifications

Synonyme

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 |

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Protected from light,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

≥98%

Namen und Kennungen

Pubchem Sid

528763604

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Carbamic acids and derivatives
            • Ebene7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro
• Empfindlichkeit: light sensitive
• Molekulargewicht: 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