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PDEC-NB

CAT: 0804-HY-126498-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126498-01Size:100 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 used for the antibody-drug conjugate (ADC) .
CAS Number
874302-76-8
UNSPSC
12352203
Hazard Statement
H302, H315, H319, H335
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pdec-nb.html
Purity
99.88
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OCCSSC1=NC=CC=C1)OC2=CC=C([N+]([O-])=O)C=C2
Molecular Formula
C14H12N2O5S2
Molecular Weight
352.39
Precautions
H302, H315, H319, H335
References & Citations
[1]Chunguang Ren et al. A kind of reduction response type cancer target polypeptide drugs conjugate and its preparation method and application. CN110314237A
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker; Disulfide Cleavable Linker

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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