DBCO-Amina - ≥98% , CAS No.1255942-06-3

CAS: 1255942-06-3 Cat. No.: D332286 Fórmula: C₁₈H₁₆N₂O Peso molecular: 276.33 Número CE: 836-577-8

GRADE & PURITY ≥98%

Synonyms

DBCO-NH2 | DBCO-NH2 | 1-Propanone, 3-amino-1-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)- | 1255942-06-3 | DBCO-NH2;ADIBO-amine;Azadibenzocyclooctyne-amine;Dibenzocyclooctyne-amine | PD171600 | 3-amino-1-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,

Storage

Protegido da luz,Armazenar a -20°C,Carregado com árgon

Shipped In

Arca de gelo + almofadas de gelo

Application

227,228,229

Visão geral

A amina DBCO é um bloco de construção simples que contém DBCO e que é utilizado para derivatizar grupos carboxilo na presença de activadores (por exemplo, EDC ou DCC) ou ésteres activados (por exemplo, ésteres NHS) com uma porção DBCO através de uma ligação amida estável.|Os reagentes DBCO, também conhecidos como ADIBO ou DIBAC, são os substratos mais utilizados na reação de clique sem cobre. Os compostos DBCO reagem com compostos funcionalizados com azida ou biomoléculas sem a necessidade de um catalisador Cu(I) para resultar numa ligação triazol estável.

Specifications

Sinónimos

DBCO-NH2 | DBCO-NH2 | 1-Propanone, 3-amino-1-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)- | 1255942-06-3 | DBCO-NH2;ADIBO-amine;Azadibenzocyclooctyne-amine;Dibenzocyclooctyne-amine | PD171600 | 3-amino-1-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protegido da luz,Armazenar a -20°C,Carregado com árgon

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488202372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202372
• Sorrisos canónicos: C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCN
• IUPAC Name: 3-amino-1-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)propan-1-one
• InChIKey: OCCYFTDHSHTFER-UHFFFAOYSA-N
• INCHI: 1S/C18H16N2O/c19-12-11-18(21)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13,19H2
• SMILES isoméricas: C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCN
• Peso molecular: 276.33
• Reaxy-Rn: 21543048
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21543048&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: Benzenoids Tertiary carboxylic acid amides Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta amino acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Heat & light sensitive
• Ponto de fusão (°C): 86-96° C
• Peso molecular: 276.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 276.126 Da
• Monoisotopic Mass: 276.126 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 447.000
• 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

Referências

1. Yueping Li, Shanshan Shan, Ruru Zhang, Chaoping Sun, Xuelan Hu, Jiada Fan, Yi Wang, Ruixue Duan, Mingyuan Gao.  (2024)  Imaging and Downstaging Bladder Cancer with the 177Lu-Labeled Bioorthogonal Nanoprobe.  ACS Nano,      [PMID:38904444] [10.1021/acsnano.4c04303]

2. Minghui Wang, Qiaolin Guo, Zhenyong Hu, Yue He, Lai Zhang, Cuifei Chen.  (2026)  HRP@COFs-driven electrochemical biosensor for high-performance miRNA detection.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2026.119078]