ChemicalBook--->CAS DataBase List--->1353016-71-3

1353016-71-3

1353016-71-3 Structure

1353016-71-3 Structure
IdentificationBack Directory
[Name]

DBCO-NHS
[CAS]

1353016-71-3
[Synonyms]

DBCO-NHS
CAS_1353016-71-3
DBCO-NHS ester (DBCO NHS ester)
N-Succinimidyl 4-[(5-Aza-3,4:7,8-dibenzocyclooct-1-yne)-5-yl]-4-oxobutyrate
11,12-Didehydro-γ-oxo-dibenz[b,f]azocine-5(6H)-butanoic acid 2,5-dioxo-1-pyrrolidinyl ester
Dibenz[b,f]azocine-5(6H)-butanoic acid, 11,12-didehydro-γ-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
[Molecular Formula]

C23H18N2O5
[MDL Number]

MFCD24386367
[MOL File]

1353016-71-3.mol
[Molecular Weight]

402.4
Chemical PropertiesBack Directory
[Boiling point ]

670.2±65.0 °C(Predicted)
[density ]

1.43±0.1 g/cm3(Predicted)
[solubility ]

Soluble in DMSO, DCM, DMF
[form ]

Solid
[pka]

-0.23±0.20(Predicted)
[color ]

White to Off-White
[Appearance]

White solid
[Stability:]

Moisture Sensitive
[InChI]

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
[InChIKey]

XCEBOJWFQSQZKR-UHFFFAOYSA-N
[SMILES]

C(N1CC2=CC=CC=C2C#CC2=CC=CC=C12)(=O)CCC(=O)ON1C(CCC1=O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

29339900
Hazard InformationBack Directory
[Description]

DBCO-NHS Ester is a very popular amine-reactive click chemistry reagent. It 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.
[Uses]

DBCO-NHS Ester is a derivative of DBCO (Dibenzylcyclooctyne), used in Cu-free click chemistry. It useful in strain-promoted copper-free azide-alkyne cycloaddition reactions. Used in DNA-Assisted protein analysis such as proximity ligation and extention assays. Intracellular Imaging.
[IC 50]

Cleavable Linker
Spectrum DetailBack Directory
[Spectrum Detail]

DBCO-NHS Ester(1353016-71-3)1HNMR
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