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

CAS: 869310-84-9 Cat. No.: P412494 분자식: C₁₂H₂₁NO₄ 분자량: 243.30 EC 번호: 182-843-5 PubChem CID: 57757214

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Application

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

개요

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

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

508814620

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814620

정식 스마일

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)

이성체 SMILES

CC(C)(C)OC(=O)NCCOCCOCC#C

PubChem CID

57757214

분자량

243.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro
• 분자량: 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