DBCO-NHS ester - ≥97% , CAS No.1353016-71-3

CAS: 1353016-71-3 Cat. No.: D595518 分子式: C₂₃H₁₈N₂O₅ 分子量: 402.40 EC番号: 978-533-1

GRADE & PURITY ≥97%

Synonyms

DBCO-NHS | N-Succinimidyl 4-[(5-Aza-3,4:7,8-dibenzocyclooct-1-yne)-5-yl]-4-oxobutyrate | (2,5-dioxopyrrolidin-1-yl) 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoate | Dibenzocyclooctyne-N-hydroxysuccinimidyl ester

Storage

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

Shipped In

Ice chest + Ice pads

概要

DBCO-NHS Ester is an amine-reactive compound and can be used to modify an amine-containing molecule in organic solvents (limited solubility in aqueous media). It reacts with primary amines such as the side chain of lysine residues or aminosilane-coated surfaces at neutral or slightly basic pH to form covalent bonds. The low mass weight will add minimal spacer to modified molecules. DBCO is commonly used for copper-free Click Chemistry reactions.

Specifications

同義語

DBCO-NHS | N-Succinimidyl 4-[(5-Aza-3,4:7,8-dibenzocyclooct-1-yne)-5-yl]-4-oxobutyrate | (2,5-dioxopyrrolidin-1-yl) 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoate | Dibenzocyclooctyne-N-hydroxysuccinimidyl ester

仕様と純度

≥97%

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528764097

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528764097

カノニカル・スマイル

C1CC(=O)N(C1=O)OC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoate

InChIKey

XCEBOJWFQSQZKR-UHFFFAOYSA-N

INCHI

1S/C23H18N2O5/c26-20(13-14-23(29)30-25-21(27)11-12-22(25)28)24-15-18-7-2-1-5-16(18)9-10-17-6-3-4-8-19(17)24/h1-8H,11-15H2

異性体SMILES

C1CC(=O)N(C1=O)OC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

分子量

402.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Pyrrolidine-2-ones Tertiary carboxylic acid amides Dicarboximides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solubility in DMSO, DCM, DMF
• 感度: Light，Moisture and Heat sensitive
• 分子量: 402.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 402.122 Da
• Monoisotopic Mass: 402.122 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 778.000
• 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