Propargyl-PEG2-NHBoc - ≥95% , CAS No.869310-84-9

CAS: 869310-84-9 Cat. No.: P412494 Formula: C₁₂H₂₁NO₄ Peso molecolare: 243.30 Numero EC: 182-843-5 PubChem CID: 57757214

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Application

227,228,229

Panoramica

Information

Propargyl-PEG2-NHBoc is a cleavable ADC linker applied into the synthesis of antibody-drug conjugates (ADCs). Propargyl-PEG2-NHBoc is a PEG-based PROTAC linker can be applied into the synthesis of PROTACs.

Specifications

Specifiche e purezza

≥95%

Meccanismi biochimici e fisiologici

Propargyl-PEG2-NHBoc is a cleavable ADC linker applied into the synthesis of antibody-drug conjugates (ADCs). Propargyl-PEG2-NHBoc is a PEG-based PROTAC linker can be applied into the synthesis of PROTACs.

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 508814620
• Sorrisi canonici: CC(C)(C)OC(=O)NCCOCCOCC#C
• IUPAC Name: tert-butyl N-[2-(2-prop-2-ynoxyethoxy)ethyl]carbamate
• InChIKey: WBOOWEAGRWGHMV-UHFFFAOYSA-N
• INCHI: 1S/C12H21NO4/c1-5-7-15-9-10-16-8-6-13-11(14)17-12(2,3)4/h1H,6-10H2,2-4H3,(H,13,14)
• Isomeri SMILES: CC(C)(C)OC(=O)NCCOCCOCC#C
• PubChem CID: 57757214
• Peso molecolare: 243.30

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: Dialkyl ethers Acetylides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Acetylide - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro
• Peso molecolare: 243.300 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 243.147 Da
• Monoisotopic Mass: 243.147 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 261.000
• 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