DBCO-Maleimide - Moligand™,≥95% , CAS No.1395786-30-7

CAS: 1395786-30-7 Cat. No.: D595554 Formula: C₂₅H₂₁N₃O₄ Peso molecolare: 427.45

GRADE & PURITY Moligand™, ≥95%

Synonyms

Dibenzocyclooctyne-maleimide | DBCO-MAL

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

DBCO-Maleimide is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1]. DBCO-Maleimide is a click chemistry reagent, it contains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups；

Maleimide functionalized cyclooctyne derivative for incorporation of the cyclooctyne moiety into thiol containing compounds or biomolecules. Cyclooctynes are useful in strain-promoted copper-free azide-alkyne cycloaddition reactions. This dibenzocyclooctyne will react with azide functionalized compounds or biomolecules without the need for a Cu(I) catalyst to result in a stable triazole linkage. Applications Include: 

Protein-peptide conjugates 

Antibody-enzyme or antibody-drug conjugates 

Protein or peptide-oligonucleotide conjugates 

urface modification

Specifications

Sinonimi

Dibenzocyclooctyne-maleimide | DBCO-MAL

Specifiche e purezza

Moligand™,≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCN4C(=O)C=CC4=O

IUPAC Name

N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

InChIKey

NHFQNAGPXIVKND-UHFFFAOYSA-N

INCHI

1S/C25H21N3O4/c29-22(14-16-27-23(30)11-12-24(27)31)26-15-13-25(32)28-17-20-7-2-1-5-18(20)9-10-19-6-3-4-8-21(19)28/h1-8,11-12H,13-17H2,(H,26,29)

Isomeri SMILES

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCN4C(=O)C=CC4=O

Peso molecolare

427.45

Reaxy-Rn

26863571

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26863571&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Maleimides N-substituted carboxylic acid imides Benzenoids Tertiary carboxylic acid amides Pyrrolines Dicarboximides Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta amino acid or derivatives - Maleimide - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrroline - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solubility in DMSO, DCM, DMF
• Sensibilità: heat sensitive；Moisture sensitive
• Punto di fusione (°C): 162 °C
• Peso molecolare: 427.500 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 427.153 Da
• Monoisotopic Mass: 427.153 Da
• Topological Polar Surface Area: 86.800 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 849.000
• 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