Products for Research Use Only

SPDB-sulfo

CAT: 0804-HY-129370Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-129370Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
SPDB-sulfo is a glutathione cleavable ADC linker used for the antibody-drug conjugate (ADCs) [1].
CAS Number
1628113-16-5
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/spdb-sulfo.html
Solubility
10 mM in DMSO
Smiles
O=C(ON1C(C(S(=O)(O)=O)CC1=O)=O)CCCSSC2=NC=CC=C2
Molecular Formula
C13H14N2O7S3
Molecular Weight
406.45
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Tinya Abrams, et al. ANTIBODY DRUG CONUGATES. US20140271688A1.
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Disulfide Cleavable Linker

Chemical Information

2,5-Dioxo-1-(4-(pyridin-2-yldisulfanyl)butanoyloxy)pyrrolidine-3-sulfonic acid
CAS Number1628113-16-5
PubChem CID90417461
IUPAC Name2,5-dioxo-1-[4-(pyridin-2-yldisulfanyl)butanoyloxy]pyrrolidine-3-sulfonic acid
Molecular FormulaC13H14N2O7S3
Molecular Weight406.5
XLogP0.6
Topological Polar Surface Area190
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity620
SMILES
C1C(C(=O)N(C1=O)OC(=O)CCCSSC2=CC=CC=N2)S(=O)(=O)O
InChI
InChI=1S/C13H14N2O7S3/c16-11-8-9(25(19,20)21)13(18)15(11)22-12(17)5-3-7-23-24-10-4-1-2-6-14-10/h1-2,4,6,9H,3,5,7-8H2,(H,19,20,21)
InChIKey
QTOCZEQWVKQCHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dioxo-1-(4-(pyridin-2-yldisulfanyl)butanoyloxy)pyrrolidine-3-sulfonic acid
CAS: 1628113-16-5
CID: 90417461
Formula: C13H14N2O7S3
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP30.6
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
Complexity620
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