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PDdEC-NB

CAT: 0013-GTR19225109-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225109-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PDdEC-NB is a cleavable linker designed for constructing antibody-drug conjugates (ADCs) . Its disulfide bond is selectively reduced in the intracellular environment, facilitating targeted drug release. This mechanism is utilized in both in vitro cytotoxicity assays and in vivo preclinical studies of ADC therapeutics.
CAS Number
1956318-90-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OC1=CC=C (C=C1) N (=O) =O) OCC (SSC2=NC=CC=C2) (C) C
Molecular Formula
C16H16N2O5S2
Molecular Weight
380.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PDdEC-NB
CAS Number1956318-90-3
PubChem CID118938618
IUPAC Name[2-methyl-2-(pyridin-2-yldisulfanyl)propyl] (4-nitrophenyl) carbonate
Molecular FormulaC16H16N2O5S2
Molecular Weight380.4
XLogP4
Topological Polar Surface Area145
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity450
SMILES
CC(C)(COC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])SSC2=CC=CC=N2
InChI
InChI=1S/C16H16N2O5S2/c1-16(2,25-24-14-5-3-4-10-17-14)11-22-15(19)23-13-8-6-12(7-9-13)18(20)21/h3-10H,11H2,1-2H3
InChIKey
WQCUUTNIMCNOHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PDdEC-NB
CAS: 1956318-90-3
CID: 118938618
Formula: C16H16N2O5S2
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass380.05006396
Monoisotopic Mass380.05006396
Topological Polar Surface Area145 Ų
Heavy Atom Count25
Formal Charge0
Complexity450
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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