NHPI-PEG4-C2-NHS ester - ≥98% , CAS No.1415328-95-8

CAS: 1415328-95-8 Cat. No.: N412478 Formula: C₂₃H₂₈N₂O₁₁ Molecular Weight: 508.48

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

NHPI-PEG4-C2-NHS ester is used as a linker for antibody-drug conjugates (ADCs).

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

NHPI-PEG4-C2-NHS ester is used as a linker for antibody-drug conjugates (ADCs).

Storage

Store at -20°C

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

528766281

Canonical Smiles

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCON2C(=O)C3=CC=CC=C3C2=O

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate

InChIKey

HLAGLPXQSIDIDX-UHFFFAOYSA-N

INCHI

1S/C23H28N2O11/c26-19-5-6-20(27)24(19)36-21(28)7-8-31-9-10-32-11-12-33-13-14-34-15-16-35-25-22(29)17-3-1-2-4-18(17)23(25)30/h1-4H,5-16H2

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCON2C(=O)C3=CC=CC=C3C2=O

Molecular Weight

508.48

Reaxy-Rn

23229817

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23229817&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Pyrrolidine-2-ones Benzenoids Dicarboximides Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Pyrrolidone - Benzenoid - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - 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 phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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 Ethanol: mg/mL
• Molecular Weight: 508.500 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 18
• Exact Mass: 508.169 Da
• Monoisotopic Mass: 508.169 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 750.000
• 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