N-(Boc-PEG3)-N-bis(PEG2-alcohol)
N-(Boc-PEG3)-N-bis(PEG2-alcohol) is a PEG-based, Boc-protected amine (carbamate) linker designed for modular PROTAC assembly. Structurally, it contains a central tertiary amine connected to one PEG3 arm ending in a Boc-protected amine and two PEG2 arms ending in alcohols, providing a flexible, hydrophilic scaffold with terminal hydroxyl handles suitable for further functionalization. In PROTAC design, such PEG linkers help tune the spatial relationship between the target-binding ligand and the E3 ligase-recruiting warhead, while improving aqueous solubility and reducing nonspecific hydrophobic interactions. The two alcohol termini enable conjugation strategies (e.g., esterification or ether formation after activation) to connect complementary reactive groups on partner molecules, facilitating controlled synthesis of degraders with defined linker length and geometry. This branched trifunctional scaffold is valuable for researchers optimizing linker flexibility and property profiles in targeted protein degradation workflows, supporting systematic structure–activity studies and improved formulation behavior during experimental evaluation.
Structure of 2055042-60-7
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This PROTAC linker, N-(Boc-PEG3)-N-bis(PEG2-alcohol), is designed to provide a flexible, hydrophilic polyethylene glycol spacer that supports efficient conjugation between targeting and recruitment modules. Its protected amine functionality enables controlled synthetic handling, while the terminal PEG alcohol groups facilitate downstream coupling strategies that preserve solubility and reduce aggregation. The linker is well suited for constructing modular PROTAC architectures, where linker length, polarity, and attachment chemistry strongly influence degradation performance. Detailed structural and reactivity considerations are provided below.
Structure: The molecule contains a Boc-protected nitrogen connected to a PEG-based spacer, with additional PEG2-alcohol termini. It features ether linkages characteristic of polyethylene glycol, a carbamate protecting group, and alcohol functionalities, collectively conferring high polarity, water compatibility, and conformational flexibility.
Reactivity: The Boc group enables orthogonal protection during PROTAC assembly, typically removed under standard acid-mediated deprotection conditions to reveal a reactive amine. The terminal PEG alcohols can be used for coupling via activated ester or leaving-group strategies (for example, conversion to suitable electrophiles followed by nucleophilic substitution). Linker incorporation is commonly performed in polar organic solvents with bases or coupling reagents compatible with PEG alcohols, leveraging nucleophilic substitution and amide/carbamate-forming pathways.
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
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