N-Bromoacetyl-β-alanine is a PROTAC (PROteolysis TArgeting Chimera) linker of the alkyl chain class, may be utilized to prepare PROTAC protein degraders. N-Bromoacetyl-β-alanine is also a cleavable (degradable) ADC (Antibody-drug conjugate) linker and may be utilized to prepare antibody-conjugated active molecules (ADC).

Physicochemical Properties

Molecular Formula	C5H8BRNO3
Molecular Weight	210.03
Exact Mass	208.969
CAS #	89520-11-6
PubChem CID	15288904
Appearance	Typically exists as solid at room temperature
Density	1.682g/cm3
Boiling Point	433.4ºC at 760 mmHg
Flash Point	215.9ºC
Index of Refraction	1.523
LogP	0.812
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	10
Complexity	137
Defined Atom Stereocenter Count	0
SMILES	C(CNC(=O)CBr)C(=O)O
InChi Key	ULKDIPSSLZFIQU-UHFFFAOYSA-N
InChi Code	InChI=1S/C5H8BrNO3/c6-3-4(8)7-2-1-5(9)10/h1-3H2,(H,7,8)(H,9,10)
Chemical Name	3-(2-bromoacetamido)propanoic acid
Synonyms	3-(2-bromoacetamido)propanoic acid UUN-20116 UUN 20116UUN20116
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

ln Vitro	Two distinct ligands, one for the E3 ubiquitin ligase and the other for the target protein, are present in PROTAC and are joined by a linker. PROTAC selectively degrades target proteins by means of the intracellular ubiquitin-proteasome system [1]. ADC is made up of antibodies that are connected to ADC cytotoxins by an ADC linker [2].
References	[1]. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562. [2]. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16(5):315-337.

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~297.58 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (9.90 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 20.8 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: ≥ 2.08 mg/mL (9.90 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 20.8 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: ≥ 2.08 mg/mL (9.90 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 20.8 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	4.7612 mL	23.8061 mL	47.6122 mL
	5 mM	0.9522 mL	4.7612 mL	9.5224 mL
	10 mM	0.4761 mL	2.3806 mL	4.7612 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.