Boc-NH-C4-acid is a PROTAC (PROteolysis TArgeting Chimera) linker of the alkyl/ether class. Boc-NH-C4-acid may be utilized in the preparation /synthesis of compound PROTAC1 and can degrade EED, EZH2, and SUZ12 in PRC2.

Physicochemical Properties

Molecular Formula	C10H19NO4
Molecular Weight	217.26
Exact Mass	217.131
CAS #	27219-07-4
PubChem CID	545848
Appearance	White to off-white solid powder
Density	1.1±0.1 g/cm3
Boiling Point	331.7±27.0 °C at 760 mmHg
Melting Point	48-52 °C(lit.)
Flash Point	154.4±23.7 °C
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.475
LogP	0.84
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	15
Complexity	220
Defined Atom Stereocenter Count	0
InChi Key	GFMRZAMDGJIWRB-UHFFFAOYSA-N
InChi Code	InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
Chemical Name	5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Synonyms	BocNHC4acid; Boc NH C4 acid
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
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

References

[1]. EED-Targeted PROTACs Degrade EED, EZH2, and SUZ12 in the PRC2 Complex. Cell Chem Biol. 2019 Nov 26. pii: S2451-9456(19)30362-9.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~460.28 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (11.51 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 (11.51 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 (11.51 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	4.6028 mL	23.0139 mL	46.0278 mL
	5 mM	0.9206 mL	4.6028 mL	9.2056 mL
	10 mM	0.4603 mL	2.3014 mL	4.6028 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.