Fmoc-NH-PEG8-NHS ester - ≥98% , CAS No.1334170-03-4

CAS: 1334170-03-4 Cat. No.: F412753 Molecular Weight: 760.8

GRADE & PURITY ≥98%

Synonyms

Fmoc-N-amido-dPEG -NHS ester | 2,5-Dioxopyrrolidin-1-yl 1-(9H-fluoren-9-yl)-3-oxo-2,7,10,13,16,19,22,25,28-nonaoxa-4-azahentriacontan-31-oate

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

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

Overview

Information

Fmoc-NH-PEG8-NHS ester is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Specifications

Synonyms

Fmoc-N-amido-dPEG -NHS ester | 2, 5-Dioxopyrrolidin-1-yl 1-(9H-fluoren-9-yl)-3-oxo-2, 7, 10, 13, 16, 19, 22, 25, 28-nonaoxa-4-azahentriacontan-31-oate

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Fmoc-NH-PEG8-NHS ester is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504772409
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772409
• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: AMSAHSNOOQLQOU-UHFFFAOYSA-N
• INCHI: 1S/C38H52N2O14/c41-35-9-10-36(42)40(35)54-37(43)11-13-45-15-17-47-19-21-49-23-25-51-27-28-52-26-24-50-22-20-48-18-16-46-14-12-39-38(44)53-29-34-32-7-3-1-5-30(32)31-6-2-4-8-33(31)34/h1-8,34H,9-29H2,(H,39,44)
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Molecular Weight: 760.8
• Reaxy-Rn: 31115357
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31115357&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro
• Molecular Weight: 760.800 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 32
• Exact Mass: 760.342 Da
• Monoisotopic Mass: 760.342 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1040.000
• 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