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ChemicalBook--->CAS DataBase List--->1263166-91-1

1263166-91-1

1263166-91-1 Structure

1263166-91-1 Structure
IdentificationBack Directory
[Name]

endo BCN-O-PNB
[CAS]

1263166-91-1
[Synonyms]

endo BCN-O-PNP
BCN-PNP (ENDO)
endo BCN-O-PNB
endo-BCN-PNB ester
endo-BCN-PNP-carbonate
endo BCN - active ester (p-NPE)
endo BCN - active ester (p-NPC)
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl (4-nitrophenyl) carbonate
((1R,8S,9S)-Bicyclo[6.1.0]non-4-yn-9-yl)methyl 4-nitrophenyl carbonate
rel-((1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-yl)methyl (4-nitrophenyl) carbonate
[Molecular Formula]

C17H17NO5
[MDL Number]

MFCD19705415
[MOL File]

1263166-91-1.mol
[Molecular Weight]

315.33
Chemical PropertiesBack Directory
[Boiling point ]

475.7±37.0 °C(Predicted)
[density ]

1.32±0.1 g/cm3(Predicted)
[solubility ]

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

Solid
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[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
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