Propargyl-PEG4-acid - ≥98% , CAS No.1415800-32-6

CAS: 1415800-32-6 Cat. No.: P412744 Fórmula: C₁₂H₂₀O₆ Peso molecular: 260.279 Número EC: 853-600-7 PubChem CID: 77078488

GRADE & PURITY ≥98%

Synonyms

Tetraoxahexadec-15-yn-1-oic acid | MFCD22683284 | AMY4485 | Propargyl-PEG4-COOH | Propyne-PEG3-CH2CH2COOH | 4,7,10,13-Tetraoxahexadec-15-yn-1-oic acid | 3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoic acid | 4,7,10,13-TETRAOXAHEXADEC-15-YNOIC ACID |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Descripción general

Product description

Propargyl-PEG4-acid is a PEG-based PROTAC linker can be used in the synthesis of BTK-IAP PROTACs Ibrutinib (HY-10997)-based PROTAC 2 and an analogue PROTAC 3. PROTAC 3 causes BTK degradation with a DC50 of 200 nM in THP-1 cells.

Specifications

Sinónimos

Tetraoxahexadec-15-yn-1-oic acid | MFCD22683284 | AMY4485 | Propargyl-PEG4-COOH | Propyne-PEG3-CH2CH2COOH | 4,7,10,13-Tetraoxahexadec-15-yn-1-oic acid | 3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoic acid | 4,7,10,13-TETRAOXAHEXADEC-15-YNOIC ACID |

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Propargyl-PEG4-acid is a PEG-based PROTAC linker that is applicable to the synthesis of BTK-IAP PROTACs Ibrutinib-based PROTAC 2 and an analogue PROTAC 3. PROTAC 3 causes BTK degradation with DC50 of 200 nM in THP-1 cells.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488202373

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202373

Sonrisas canónicas

C#CCOCCOCCOCCOCCC(=O)O

IUPAC Name

3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoic acid

InChIKey

WMBXAUWIPBFEOK-UHFFFAOYSA-N

INCHI

1S/C12H20O6/c1-2-4-15-6-8-17-10-11-18-9-7-16-5-3-12(13)14/h1H,3-11H2,(H,13,14)

Isómeros SMILES

C#CCOCCOCCOCCOCCC(=O)O

PubChem CID

77078488

Peso molecular

260.279

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro
• Índice de refracción: 1.460
• Peso molecular: 260.279 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 260.126 Da
• Monoisotopic Mass: 260.126 Da
• Topological Polar Surface Area: 74.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 244.000
• 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