ChemicalBook--->CAS DataBase List--->1392499-32-9

1392499-32-9

1392499-32-9 Structure

1392499-32-9 Structure
IdentificationBack Directory
[Name]

N-Boc-PEG4-bromide
[CAS]

1392499-32-9
[Synonyms]

Br-PEG4-NHBoc
N-Boc-PEG4-bromide
N-Boc-PEG5-bromide
BocNH-PEG4-CH2CH2Br
5,8,11,14-Tetraoxa-2-azahexadecanoic acid, 16-bromo-, 1,1-dimethylethyl ester
[Molecular Formula]

C15H30BrNO6
[MDL Number]

MFCD31536756
[MOL File]

1392499-32-9.mol
[Molecular Weight]

400.31
Chemical PropertiesBack Directory
[Boiling point ]

459.3±40.0 °C(Predicted)
[density ]

1.223±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

Soluble in DCM
[form ]

Liquid
[pka]

12.23±0.46(Predicted)
[color ]

Light yellow to brown
[InChI]

InChI=1S/C15H30BrNO6/c1-15(2,3)23-14(18)17-5-7-20-9-11-22-13-12-21-10-8-19-6-4-16/h4-13H2,1-3H3,(H,17,18)
[InChIKey]

KYOVSWOWVSWAII-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NCCOCCOCCOCCOCCBr
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Hazard InformationBack Directory
[Description]

N-Boc-PEG4-bromide is a PEG linker containing a bromide group and Boc-protected amino group. The hydrophilic PEG spacer increases solubility in aqueous media. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The Boc group can be deprotected under mild acidic conditions to form the free amine.
[Biological Activity]

N-Boc-PEG5-bromide is a PROTAC linker that belongs to the PEG class and the Alkyl/ether class. It can be used to synthesize a series of PROTAC molecules. It is a cleavable ADC linker for the synthesis of antibody drug conjugates (ADCs).
[in vitro]

PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins.
ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker.

[target]

Cleavable

PEGs

Alkyl/ether

Spectrum DetailBack Directory
[Spectrum Detail]

N-Boc-PEG4-bromide(1392499-32-9)1HNMR
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