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PPC-NHS ester

CAT: 0804-HY-W071006-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W071006-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PPC-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
107348-47-0
Product Name Alternative
2,5-Dioxopyrrolidin-1-yl 3- (pyridin-2-yldisulfanyl) butanoate
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/ppc-nhs-ester.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(SSC1=NC=CC=C1)CC(ON2C(CCC2=O)=O)=O
Molecular Formula
C13H14N2O4S2
Molecular Weight
326.40
Precautions
H302, H315, H319, H335
References & Citations
[1]Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16 (5) :315-337.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker; Disulfide Cleavable Linker

Chemical Information

N-succinimidyl-3-(2-pyridyldithio)butyrate
CAS Number107348-47-0
PubChem CID129538
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)butanoate
Molecular FormulaC13H14N2O4S2
Molecular Weight326.4
XLogP1.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity403
SMILES
CC(CC(=O)ON1C(=O)CCC1=O)SSC2=CC=CC=N2
InChI
InChI=1S/C13H14N2O4S2/c1-9(20-21-10-4-2-3-7-14-10)8-13(18)19-15-11(16)5-6-12(15)17/h2-4,7,9H,5-6,8H2,1H3
InChIKey
VQZYZXLBKBUOHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-succinimidyl-3-(2-pyridyldithio)butyrate
CAS: 107348-47-0
CID: 129538
Formula: C13H14N2O4S2
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass326.03949928
Monoisotopic Mass326.03949928
Topological Polar Surface Area127 Ų
Heavy Atom Count21
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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