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SMPT

CAT: 0804-HY-126405-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126405-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SMPT is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
112241-19-7
UNSPSC
12352203
Hazard Statement
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/smpt.html
Purity
98.0
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(ON1C(CCC1=O)=O)C2=CC=C(C(SSC3=NC=CC=C3)C)C=C2
Molecular Formula
C18H16N2O4S2
Molecular Weight
388.46
Precautions
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
Disulfide Cleavable Linker; Non-cleavable Linker

Chemical Information

4-Succinimidyloxycarbonyl-alpha-methyl-alpha(2-pyridyldithio)toluene
CAS Number112241-19-7
PubChem CID130706
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[1-(pyridin-2-yldisulfanyl)ethyl]benzoate
Molecular FormulaC18H16N2O4S2
Molecular Weight388.5
XLogP2.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity521
SMILES
CC(C1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O)SSC3=CC=CC=N3
InChI
InChI=1S/C18H16N2O4S2/c1-12(25-26-15-4-2-3-11-19-15)13-5-7-14(8-6-13)18(23)24-20-16(21)9-10-17(20)22/h2-8,11-12H,9-10H2,1H3
InChIKey
GKSPIZSKQWTXQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Succinimidyloxycarbonyl-alpha-methyl-alpha(2-pyridyldithio)toluene
CAS: 112241-19-7
CID: 130706
Formula: C18H16N2O4S2
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass388.05514934
Monoisotopic Mass388.05514934
Topological Polar Surface Area127 Ų
Heavy Atom Count26
Formal Charge0
Complexity521
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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CatalogName
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