PAB-Val-Lys-Boc is a cleavable (degradable) ADC (Antibody-drug conjugate) linker that may be utilized to prepare antibody-conjugated active molecules (ADC) to stimulate immune responses.

Physicochemical Properties

Molecular Formula	C23H38N4O5
Molecular Weight	450.571626186371
Exact Mass	450.28
Elemental Analysis	C, 61.31; H, 8.50; N, 12.43; O, 17.75
CAS #	1432969-86-2
PubChem CID	117841397
Appearance	Solid powder
LogP	1.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Heavy Atom Count	32
Complexity	598
Defined Atom Stereocenter Count	2
SMILES	CC(C)[C@@H](C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C=C1)CO)N
InChi Key	BPDGVDDLTIMMLY-OALUTQOASA-N
InChi Code	InChI=1S/C23H38N4O5/c1-15(2)19(24)21(30)27-18(8-6-7-13-25-22(31)32-23(3,4)5)20(29)26-17-11-9-16(14-28)10-12-17/h9-12,15,18-19,28H,6-8,13-14,24H2,1-5H3,(H,25,31)(H,26,29)(H,27,30)/t18-,19-/m0/s1
Chemical Name	tert-butyl ((S)-5-((S)-2-amino-3-methylbutanamido)-6-((4-(hydroxymethyl)phenyl)amino)-6-oxohexyl)carbamate
Synonyms	Val-Lys(Boc)-PAB;
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

Targets	Protease Cleavable Linker Cleavable Linker
References	[1]. Geoffrey Alan Pietersz. Immunomodulatory conjugates. WO2013067597A1 (compound PEG-A)

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~277.43 mM）

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.62 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 (4.62 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 (4.62 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	2.2194 mL	11.0971 mL	22.1941 mL
	5 mM	0.4439 mL	2.2194 mL	4.4388 mL
	10 mM	0.2219 mL	1.1097 mL	2.2194 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.