DBCO-PEG4-Acid
Synonym(s):DBCO-PEG4-Acid
- CAS NO.：1537170-85-6
- Empirical Formula: C30H36N2O8
- Molecular Weight: 552.62
- MDL number: MFCD22380749
- Update Date: 2024-10-23 13:36:13
What is DBCO-PEG4-Acid?
Description
DBCO-PEG4-acid is an analog of DBCO-Acid with PEG linker and a DBCO group. The DBCO groups is commonly used for copper-free Click Chemistry reactions due to its strain promoted high energy. The hydrophilic PEG chain allows for increased water solubility. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.
The Uses of DBCO-PEG4-Acid
Acid functionalized cyclooctyne derivative. Cyclooctynes are useful in strain-promoted copper-free azide-alkyne cycloaddition reactions. This dibenzocyclooctyne will react with azide functionalized compounds or biomolecules without the need for a Cu(I) catalyst to result in a stable triazole linkage. The PEG spacer adds hydrophilicity to the product to decrease aggregation.
Properties of DBCO-PEG4-Acid
| Boiling point: | 839.7±65.0 °C(Predicted) |
| Density | 1.27±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | Soluble in DMSO, DCM, DMF |
| pka | 4.28±0.10(Predicted) |
| form | Solid or Viscous Liquid |
| color | Yellow to Orange |
Safety information for DBCO-PEG4-Acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for DBCO-PEG4-Acid
| InChIKey | LKSAMQQFMTVPKD-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCOCCOCCOCCOCCNC(=O)CCC(N1CC2=CC=CC=C2C#CC2=CC=CC=C12)=O |
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![2-(4-Ethyl-1-piperazinyl)-4-[4-(4-ethyl-1-piperazinyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine](https://img.chemicalbook.in/CAS/20200331/GIF/CB23039001.gif)
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