Propargyl-PEG7-NHBoc

 CAS No.: 2112737-90-1  Cat No.: BP-500661  Purity: ≥95% 4.5  

Propargyl-PEG7-NHBoc is a PEG-based, heterobifunctional linker featuring a terminal propargyl (alkyne) group for bioorthogonal or click-type conjugation and a protected amine (NHBoc) for controlled coupling to amine-reactive partners or for further derivatization. The PEG7 segment provides a hydrophilic, flexible spacer that reduces steric interference and can improve the effective reach and solubility of PROTAC constructs, which is critical when tethering bulky ligands to recruit an E3 ligase and the target protein. In targeted protein degradation workflows, this linker can be used to connect or functionalize ligand scaffolds so that the resulting PROTAC maintains sufficient conformational freedom to form a productive ternary complex. Its modular handle set supports systematic structure–activity relationship studies by enabling controlled attachment chemistries and minimizing nonspecific hydrophobic interactions, thereby facilitating robust experimental optimization of degradation potency and selectivity.

Propargyl-PEG7-NHBoc

Structure of 2112737-90-1

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Category
PROTAC Linker
Molecular Formula
C22H41NO9
Molecular Weight
463.56
Related CAS
1520979-34-3 (polymer)

* For research and manufacturing use only. Not for human or clinical use.

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Purity
≥95%
Solubility
Soluble in DMSO
Storage
Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years)
Shipping
Room temperature in continental US; may vary elsewhere.
IUPACName
tert-butyl N-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Synonyms
t-Boc-N-Amido-PEG7-propargyl; Boc-NH-PEG7-propargyl; tert-Butyl 3,6,9,12,15,18,21-heptaoxatetracos-23-yn-1-ylcarbamate; 2-Methyl-2-propanyl 3,6,9,12,15,18,21-heptaoxatetracos-23-yn-1-ylcarbamate; Carbamic acid, N-3,6,9,12,15,18,21-heptaoxatetracos-23-yn-1-yl-, 1,1-dimethylethyl ester
Boiling Point
532.7±50.0°C at 760 mmHg
Density
1.1±0.1 g/cm3
InChI Key
KJDMOHBSNFYPKQ-UHFFFAOYSA-N
InChI
InChI=1S/C22H41NO9/c1-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-23-21(24)32-22(2,3)4/h1H,6-20H2,2-4H3,(H,23,24)
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCC#C

Propargyl-PEG7-NHBoc is a PEG-based, bifunctional PROTAC linker designed to connect a propargyl handle with a protected amine for subsequent conjugation steps. Its ether-rich PEG segment provides conformational flexibility and improved solubility in typical coupling media, while the terminal propargyl group enables selective click-type ligations to complementary azide-bearing partners. The Boc-protected amine offers controlled reactivity during synthesis.

Structure: The linker contains an ether-rich polyethylene glycol chain providing hydrophilicity and conformational mobility, coupled to a terminal propargyl (alkyne) functionality. A Boc-protected amine is present as a carbamate, with stable C–O and N–C linkages that can be deprotected under standard conditions. Overall, it is a flexible, polar scaffold.

Reactivity: The propargyl group is suitable for copper-catalyzed azide–alkyne cycloaddition with azide-functional ligands under commonly used Cu(I) conditions, typically in polar organic or mixed solvent systems. The Boc group can be removed to reveal a free amine for amide or urea-forming coupling to activated carboxylic acids or isocyanates, following established carbodiimide or acyl-transfer strategies. Deprotection is performed prior to nucleophilic coupling, using acid-mediated conditions compatible with PROTAC assembly workflows.

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Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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