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PDEC-NB

CAT: 0013-GTR19177967Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177967Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PDEC-NB is a disulfide-cleavable linker designed for constructing antibody-drug conjugates (ADCs) . Its application facilitates targeted drug delivery research, enabling the study of payload release in both in vitro cellular assays and in vivo tumor models for cancer therapeutics development.
CAS Number
874302-76-8
Product Name Alternative
PDEC-NB, PDEC NB, PDECNB, inhibit, Inhibitor, Cleavable, ADCLinker, ADC Linkers, ADC Linker, 4-Nitrophenyl 2- (Pyridin-2-Yldisulfanyl) Ethyl Carbonate, Antibody-drug conjugates linkers
Field of Research
Pharmacology & Drug Discovery
Purity
99.26% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:3.3 mg/mL (9.36 mM) ; DMSO:88 mg/mL (249.72 mM)
Smiles
[O-][N+] (=O) c1ccc (OC (=O) OCCSSc2ccccn2) cc1
Molecular Formula
C14H12N2O5S2
Molecular Weight
352.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Nitrophenyl 2-(pyridin-2-yldisulfanyl)ethyl carbonate
CAS Number874302-76-8
PubChem CID11638899
IUPAC Name(4-nitrophenyl) 2-(pyridin-2-yldisulfanyl)ethyl carbonate
Molecular FormulaC14H12N2O5S2
Molecular Weight352.4
XLogP3.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity386
SMILES
C1=CC=NC(=C1)SSCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
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
InChIKey
JHDROZPIXZYTMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrophenyl 2-(pyridin-2-yldisulfanyl)ethyl carbonate
CAS: 874302-76-8
CID: 11638899
Formula: C14H12N2O5S2
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass352.01876383
Monoisotopic Mass352.01876383
Topological Polar Surface Area145 Ų
Heavy Atom Count23
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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