DBCO-acid , CAS No.1353016-70-2

CAS: 1353016-70-2 Cat. No.: D1372403-GMP Molecular Weight: 305.33 EC Number: 870-529-7

Storage

Room temperature

Shipped In

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Overview

DBCO-acid GMP is a GMP grade DBCO-acid. DBCO-acid is a cleavable ADC linker used in the synthesis of ADC linker DBCO-NHS ester, and agent-linker conjugates DBCO-PEG-MMAE. DBCO-acid is a click chemistry reagent, itcontains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.

Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)O
• IUPAC Name: 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoic acid
• InChIKey: NDLOVDOICXITOK-UHFFFAOYSA-N
• INCHI: 1S/C19H15NO3/c21-18(11-12-19(22)23)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13H2,(H,22,23)
• Isomeric SMILES: C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)O
• Molecular Weight: 305.33
• Reaxy-Rn: 22131219
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22131219&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
• 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

• Melt Point(°C): 181 °C

References

1. Xueyang Xiao, Hao Cai, Qiaorong Huang, Bing Wang, Xiaoming Wang, Qiang Luo, Yinggang Li, Hu Zhang, Qiyong Gong, Xuelei Ma, Zhongwei Gu, Kui Luo.  (2022)  Polymeric dual-modal imaging nanoprobe with two-photon aggregation-induced emission for fluorescence imaging and gadolinium-chelation for magnetic resonance imaging.  Bioactive Materials,      [PMID:35600977] [10.1016/j.bioactmat.2022.04.026]