Amino-PEG4-Val-Cit-PAB-MMAE is a cleavable (degradable) ADC (Antibody-drug conjugate) linker containing 4 Polyethylene glycol (PEG) units, which may be utilized to prepare active Antibody-drug conjugates (ADC).

Physicochemical Properties

Molecular Formula	C₆₉H₁₁₅N₁₁O₁₇
Molecular Weight	1370.71
Exact Mass	1369.847
CAS #	1492056-71-9
PubChem CID	123184524
Appearance	White to off-white solid powder
LogP	3
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	47
Heavy Atom Count	97
Complexity	2360
Defined Atom Stereocenter Count	0
SMILES	O(C)[C@H]([C@H](C(N[C@H](C)[C@H](C1C=CC=CC=1)O)=O)C)[C@@H]1CCCN1C(C[C@H]([C@H]([C@@H](C)CC)N(C)[C@H](C(NC([C@H](C(C)C)N(C(=O)OCC1C=CC(=CC=1)NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC(CCOCCOCCOCCOCCN)=O)=O)=O)C)=O)=O)C(C)C)OC)=O
InChi Key	QTTIHRGTMDWEEX-UHFFFAOYSA-N
InChi Code	InChI=1S/C69H115N11O17/c1-15-46(8)60(54(91-13)41-56(82)80-32-20-24-53(80)62(92-14)47(9)63(84)73-48(10)61(83)50-21-17-16-18-22-50)78(11)67(88)58(44(4)5)77-66(87)59(45(6)7)79(12)69(90)97-42-49-25-27-51(28-26-49)74-64(85)52(23-19-31-72-68(71)89)75-65(86)57(43(2)3)76-55(81)29-33-93-35-37-95-39-40-96-38-36-94-34-30-70/h16-18,21-22,25-28,43-48,52-54,57-62,83H,15,19-20,23-24,29-42,70H2,1-14H3,(H,73,84)(H,74,85)(H,75,86)(H,76,81)(H,77,87)(H3,71,72,89)
Chemical Name	[4-[[2-[[2-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[1-[[1-[[1-[2-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
Synonyms	AminoPEG4ValCitPABMMAE Amino PEG4 Val Cit PAB MMAE
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: (1). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.(2). 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	ADC is made up of an antibody and an ADC linker that connects the ADC cytotoxin [1].
References	[1]. 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 : ~100 mg/mL (~72.95 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (1.82 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 (1.82 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 (1.82 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	0.7295 mL	3.6477 mL	7.2955 mL
	5 mM	0.1459 mL	0.7295 mL	1.4591 mL
	10 mM	0.0730 mL	0.3648 mL	0.7295 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.