endo BCN-O-PNB Chemical Properties

Boiling point:

475.7±37.0 °C(Predicted)

Density 

1.32±0.1 g/cm3(Predicted)

storage temp. 

Storage temp. -20°C

solubility 

DMSO : 100 mg/mL (317.14 mM; Need ultrasonic)

form 

Solid

color 

White to off-white

InChI

InChI=1/C17H17NO5/c19-17(23-13-9-7-12(8-10-13)18(20)21)22-11-16-14-5-3-1-2-4-6-15(14)16/h7-10,14-16H,3-6,11H2/t14-,15+,16-

InChIKey

QXNXOXMDBLHIDB-MUJYYYPQNA-N

SMILES

C([C@H]1[C@@]2([H])CCC#CCC[C@@]12[H])OC(=O)OC1C=CC(N(=O)=O)=CC=1 |&1:1,2,10,r|

endo BCN-O-PNB Usage And Synthesis

Description

endo-BCN-PNP-carbonate is a very reactive compound which can easily react with amine-containing molecules in organic solvents. PNP is a good leaving group. The BCN is used for copper-free Click Chemistry reactions.

Uses

endo-BCN-O-PNB is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1]. endo-BCN-O-PNB is a click chemistry reagent, it contains a BCN group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.

IC 50

Alkyl/ether

References

[1] An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562 DOI:10.1016/j.ebiom.2018.09.005

endo BCN-O-PNB(1263166-91-1)Related Product Information

• BCN-OH
• endo-BCN-PEG4-acid
• -
• exo BCN-O-PNB
• endo-BCN-PEG4-NHS ester
• -
• (1R,8S,9r)-bicyclo[6.1.0]nonan-9-ylmethanol