Biotin-PEG4-amino-t-Bu-DADPS-C6-azide is a PROTAC (PROteolysis TArgeting Chimera) linker of the Polyethylene glycol (PEG) category, may be utilized to prepare PROTAC protein degraders. Biotin-PEG4-amino-t-Bu-DADPS-C6-azide is a reagent for click chemistry. It has an Azide (N3) moiety and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing an Alkyne group. SPAAC (Strain-promoted alkyne-azide cycloaddition) may also happen with compounds bearing a BCN or DBCO group.

Physicochemical Properties

Molecular Formula	C43H67N7O9SSI
Molecular Weight	886.18
Exact Mass	885.449
CAS #	1260247-50-4
PubChem CID	132505710
Appearance	Off-white to light yellow solid powder
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	34
Heavy Atom Count	61
Complexity	1290
Defined Atom Stereocenter Count	3
SMILES	S1C([H])([H])[C@@]2([H])[C@@]([H])([C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])C(N([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])O[Si](C1C([H])=C([H])C([H])=C([H])C=1[H])(C1C([H])=C([H])C([H])=C([H])C=1[H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N=[N+]=[N-])=O)=O)N([H])C(N2[H])=O
InChi Key	CSHHHVOFXKFHMG-PCXFPAGCSA-N
InChi Code	InChI=1S/C43H67N7O9SSi/c1-43(2,59-61(35-15-7-5-8-16-35,36-17-9-6-10-18-36)58-24-14-4-3-13-22-47-50-44)34-46-40(52)21-25-54-27-29-56-31-32-57-30-28-55-26-23-45-39(51)20-12-11-19-38-41-37(33-60-38)48-42(53)49-41/h5-10,15-18,37-38,41H,3-4,11-14,19-34H2,1-2H3,(H,45,51)(H,46,52)(H2,48,49,53)/t37-,38-,41-/m0/s1
Chemical Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[2-[6-azidohexoxy(diphenyl)silyl]oxy-2-methylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Synonyms	BiotinPEG4aminotBuDADPSC6azide; Biotin PEG4 amino t Bu DADPS C6 azide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product is not stable in solution, please use freshly prepared working solution for optimal results.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	One ligand is for an E3 ubiquitin ligase, and the other is for the target protein; these two ligands are joined by a linker to form PROTACs. The intracellular ubiquitin-proteasome system is utilized by PROTACs to specifically destroy target proteins[1].
References	[1]. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~112.84 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (2.82 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (2.82 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (2.82 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.1284 mL	5.6422 mL	11.2844 mL
	5 mM	0.2257 mL	1.1284 mL	2.2569 mL
	10 mM	0.1128 mL	0.5642 mL	1.1284 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.