BTTAA - ≥99% , CAS No.1334179-85-9

CAS: 1334179-85-9 Cat. No.: B302414 Fórmula: C₁₉H₃₀N₁₀O₂ Peso molecular: 430.51 Número EC: 111-864-4

GRADE & PURITY ≥99%

Synonyms

Water-soluble CuAAC ligand | 2-(4-((Bis((1-(tert-butyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)-1H-1,2,3-triazol-1-yl)acetic acid | Copper click-chemistry ligand

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

aplicación：

El BTTAA es un ligando hidrosoluble de nueva generación para la cicloadición azida-alquino (CuAAC) catalizada por cobre(I) que acelera drásticamente las velocidades de reacción y suprime la citotoxicidad celular. La biocompatibilidad y la cinética rápida de BTTAA son avances con respecto al TBTA insoluble en agua y son deseables para la bioconjugación en diversos experimentos de biología química.

descripción：

BTTAA es un ligando estabilizador de Cu(I) que actúa potentemente con la ubiquitina Glu18AzF.

BTTAA es un ligando estabilizador de Cu(I). Utilizando el mutante Glu18AzF de la ubiquitina como sistema modelo con C3-Tm3+ y C4-Tm3+, Cu-BTTAA funciona significativamente mejor como catalizador que Cu-THPTA o Cu-TBTA. El BTTAA resulta mucho mejor que el THPTA (tris[(1-hidroxi-propil-1H-1,2,3-triazol-4-il)metil]amina) o el TBTA (tris[(1-bencil-1H-1,2,3-triazol-4-il)metil]amina)

Specifications

Sinónimos

Water-soluble CuAAC ligand | 2-(4-((Bis((1-(tert-butyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)-1H-1,2,3-triazol-1-yl)acetic acid | Copper click-chemistry ligand

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488201738
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201738
• Sonrisas canónicas: CC(C)(C)N1C=C(N=N1)CN(CC2=CN(N=N2)CC(=O)O)CC3=CN(N=N3)C(C)(C)C
• IUPAC Name: 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]acetic acid
• InChIKey: MGQYHUDOWOGSQI-UHFFFAOYSA-N
• INCHI: 1S/C19H30N10O2/c1-18(2,3)28-11-15(21-24-28)8-26(7-14-10-27(23-20-14)13-17(30)31)9-16-12-29(25-22-16)19(4,5)6/h10-12H,7-9,13H2,1-6H3,(H,30,31)
• Isómeros SMILES: CC(C)(C)N1C=C(N=N1)CN(CC2=CN(N=N2)CC(=O)O)CC3=CN(N=N3)C(C)(C)C
• Peso molecular: 430.51
• Reaxy-Rn: 21841214
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21841214&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Aralkylamines Triazoles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Aralkylamine - Azole - 1,2,3-triazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organic oxide - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propiedades químicas y físicas

• Solubilidad: H2O : 5 mg/mL (11.61 mM; Need ultrasonic)
• Peso molecular: 430.500 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 430.255 Da
• Monoisotopic Mass: 430.255 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 573.000
• 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