PDEC-NB is a disulfide bond cleavable (degradable) cross-linker used for antibody conjugation active molecules (ADC).

Physicochemical Properties

Molecular Formula	C14H12N2O5S2
Molecular Weight	352.385480880737
Exact Mass	352.018
CAS #	874302-76-8
PubChem CID	11638899
Appearance	White to off-white solid powder
LogP	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	23
Complexity	386
Defined Atom Stereocenter Count	0
SMILES	O=C(OCCSSC1C=CC=CN=1)OC1C=CC([N+](=O)[O-])=CC=1
InChi Key	JHDROZPIXZYTMZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H12N2O5S2/c17-14(21-12-6-4-11(5-7-12)16(18)19)20-9-10-22-23-13-3-1-2-8-15-13/h1-8H,9-10H2
Chemical Name	(4-nitrophenyl) 2-(pyridin-2-yldisulfanyl)ethyl carbonate
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	Disulfide Cleavable Linker Cleavable Linker
References	[1]. A kind of reduction response type cancer target polypeptide drugs conjugate and its preparation method and application. CN110314237A.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (283.78 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (7.09 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (7.09 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (7.09 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	2.8378 mL	14.1888 mL	28.3776 mL
	5 mM	0.5676 mL	2.8378 mL	5.6755 mL
	10 mM	0.2838 mL	1.4189 mL	2.8378 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.