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NO2-SPP

CAT: 0804-HY-129367Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-129367Size:1 Each
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Description
NO2-SPP is a cleavable linker that is used for making antibody-drug conjugate (ADC) .
CAS Number
663598-61-6
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/no2-spp.html
Solubility
10 mM in DMSO
Smiles
CC(SSC1=NC=C([N+]([O-])=O)C=C1)CCC(ON2C(CCC2=O)=O)=O
Molecular Formula
C14H15N3O6S2
Molecular Weight
385.42
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Qiming Chen, et al. Anti-integrin immunoconjugates, methods and uses. WO2006062779A2.
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker; Disulfide Cleavable Linker

Chemical Information

2,5-Dioxopyrrolidin-1-yl 4-((5-nitropyridin-2-yl)disulfanyl)pentanoate
CAS Number663598-61-6
PubChem CID22382871
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate
Molecular FormulaC14H15N3O6S2
Molecular Weight385.4
XLogP1.3
Topological Polar Surface Area173
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity525
SMILES
CC(CCC(=O)ON1C(=O)CCC1=O)SSC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O6S2/c1-9(24-25-11-4-3-10(8-15-11)17(21)22)2-7-14(20)23-16-12(18)5-6-13(16)19/h3-4,8-9H,2,5-7H2,1H3
InChIKey
JFSJKWBYKAONEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dioxopyrrolidin-1-yl 4-((5-nitropyridin-2-yl)disulfanyl)pentanoate
CAS: 663598-61-6
CID: 22382871
Formula: C14H15N3O6S2
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass385.04022755
Monoisotopic Mass385.04022755
Topological Polar Surface Area173 Ų
Heavy Atom Count25
Formal Charge0
Complexity525
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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