DBCO-S-S-PEG3-biotin - ≥95% , CAS No.1430408-09-5

CAS: 1430408-09-5 Cat. No.: D595750 Fórmula: C₄₂H₅₆N₆O₈S₃ Peso molecular: 869.12 PubChem CID: 91757910

GRADE & PURITY ≥95%

Synonyms

Dibenzocyclooctyne-S-S-PEG3-Biotin | N-[24-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-13,21,24-trioxo-3,6,9-trioxa-16,17-dithia-12,20-diazatetracos-1-yl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

DBCO-S-S-PEG3-biotin is a cleavable reagent for introduction of a biotin moiety to azide-containing biomolecules using copper-free Click Chemistry. The hydrophilic spacer arm provides better solubility to the labeled molecules in aqueous media. The disulfide bond in this linker can be cleaved using reducing agents such as DTT, BME and TCEP to remove the biotin label.

Specifications

Sinónimos

Dibenzocyclooctyne-S-S-PEG3-Biotin | N-[24-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-13,21,24-trioxo-3,6,9-trioxa-16,17-dithia-12,20-diazatetracos-1-yl]-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCNC(=O)CCSSCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2

IUPAC Name

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethyldisulfanyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

InChIKey

ZJVGOGQIAYMKAS-MZOCQUDTSA-N

INCHI

1S/C42H56N6O8S3/c49-37(12-6-5-11-36-41-34(30-57-36)46-42(53)47-41)43-18-21-54-23-25-56-26-24-55-22-19-44-39(51)17-27-58-59-28-20-45-38(50)15-16-40(52)48-29-33-9-2-1-7-31(33)13-14-32-8-3-4-10-35(32)48/h1-4,7-10,34,36,41H,5-6,11-12,15-30H2,(H,43,49)(H,44,51)(H,45,50)(H2,46,47,53)/t34-,36-,41-/m0/s1

SMILES isoméricas

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCNC(=O)CCSSCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2

PubChem CID

91757910

Peso molecular

869.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines Benzenoids Imidazolidinones N-acyl amines Thiophenes Thiolanes Tertiary carboxylic acid amides Ureas Dialkyldisulfides Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Imidazolidinone - N-acyl-amine - Benzenoid - Fatty acyl - Imidazolidine - Tertiary carboxylic acid amide - Thiolane - Thiophene - Carboxamide group - Dialkyldisulfide - Urea - Organic disulfide - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive;Moisture sensitive;Heat sensitive
• Peso molecular: 869.100 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 27
• Exact Mass: 868.332 Da
• Monoisotopic Mass: 868.332 Da
• Topological Polar Surface Area: 252.000 Ų
• Heavy Atom Count: 59
• Formal Charge: 0
• Complexity: 1420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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