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Sulfo-SPDB

CAT: 0804-HY-101151-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0804-HY-101151-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sulfo-SPDB is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
1193111-39-5
UNSPSC
12352203
Hazard Statement
H302, H319
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/sulfo-spdb.html
Purity
95.0
Solubility
DMSO : ≥ 125 mg/mL
Smiles
O=C(ON1C(CCC1=O)=O)C(S(=O)(O)=O)CCSSC2=NC=CC=C2
Molecular Formula
C13H14N2O7S3
Molecular Weight
406.45
Precautions
H302, H319
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
Dry Ice
Storage Conditions
-80°C, protect from light, stored under nitrogen
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker; Disulfide Cleavable Linker

Chemical Information

1-(2,5-Dioxopyrrolidin-1-yloxy)-1-oxo-4-(pyridin-2-yldisulfanyl)butane-2-sulfonic acid
CAS Number1193111-39-5
PubChem CID53248044
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxo-4-(pyridin-2-yldisulfanyl)butane-2-sulfonic acid
Molecular FormulaC13H14N2O7S3
Molecular Weight406.5
XLogP0
Topological Polar Surface Area190
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity604
SMILES
C1CC(=O)N(C1=O)OC(=O)C(CCSSC2=CC=CC=N2)S(=O)(=O)O
InChI
InChI=1S/C13H14N2O7S3/c16-11-4-5-12(17)15(11)22-13(18)9(25(19,20)21)6-8-23-24-10-3-1-2-7-14-10/h1-3,7,9H,4-6,8H2,(H,19,20,21)
InChIKey
FUHCFUVCWLZEDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,5-Dioxopyrrolidin-1-yloxy)-1-oxo-4-(pyridin-2-yldisulfanyl)butane-2-sulfonic acid
CAS: 1193111-39-5
CID: 53248044
Formula: C13H14N2O7S3
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass405.99631431
Monoisotopic Mass405.99631431
Topological Polar Surface Area190 Ų
Heavy Atom Count25
Formal Charge0
Complexity604
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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