Bis-PEG9-NHS ester - ≥95% , CAS No.1008402-79-6

CAS: 1008402-79-6 Cat. No.: B165382 분자식: C₃₀H₄₈N₂O₁₇ 분자량: 708.71

GRADE & PURITY ≥95%

Synonyms

Bis(NHS)PEG9 | Di(N-succinimidyl) 4,7,10,13,16,19,22,25,28-Nonaoxahentriacontanedioate | 4,7,10,13,16,19,22,25,28-Nonaoxahentriacontanedioic Acid Di(N-succinimidyl) Ester | BS(PEG)9 | 1,31-Bis(2,5-dioxo-1-pyrrolidinyl)4,7,10,13,16,19,22,25,28-nonaoxahentr

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

개요

Bis-PEG9-NHS ester is a PEG/Alkyl/ether-based PROTAC linker can be used in the synthesis of PROTACs. Bis-PEG9-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Specifications

동의어

Bis(NHS)PEG9 | Di(N-succinimidyl) 4,7,10,13,16,19,22,25,28-Nonaoxahentriacontanedioate | 4,7,10,13,16,19,22,25,28-Nonaoxahentriacontanedioic Acid Di(N-succinimidyl) Ester | BS(PEG)9 | 1,31-Bis(2,5-dioxo-1-pyrrolidinyl)4,7,10,13,16,19,22,25,28-nonaoxahentr

사양 및 순도

≥95%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

504772412

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772412

정식 스마일

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

InChIKey

CQWLSZJYTZVHMU-UHFFFAOYSA-N

INCHI

1S/C30H48N2O17/c33-25-1-2-26(34)31(25)48-29(37)5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-24-22-46-20-18-44-16-14-42-12-10-40-8-6-30(38)49-32-27(35)3-4-28(32)36/h1-24H2

이성체 SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

분자량

708.71

Reaxy-Rn

23465387

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23465387&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Lactams Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

• 감도: Moisture Sensitive；Heat Sensitive；Moisture sensitive
• 분자량: 708.700 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 34
• Exact Mass: 708.295 Da
• Monoisotopic Mass: 708.295 Da
• Topological Polar Surface Area: 210.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 890.000
• 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