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DMAC-SPDB

CAT: 0804-HY-133550Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-133550Size:1 Each
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Description
DMAC-SPDB is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
663599-05-1
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/dmac-spdb.html
Solubility
10 mM in DMSO
Smiles
O=C(ON1C(CCC1=O)=O)CCCSSC2=NC=C(C(N(C)C)=O)C=C2
Molecular Formula
C16H19N3O5S2
Molecular Weight
397.47
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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
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-(dimethylcarbamoyl)pyridin-2-yl)disulfanyl)butanoate
CAS Number663599-05-1
PubChem CID118797506
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[[5-(dimethylcarbamoyl)-2-pyridinyl]disulfanyl]butanoate
Molecular FormulaC16H19N3O5S2
Molecular Weight397.5
XLogP0.5
Topological Polar Surface Area147
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity542
SMILES
CN(C)C(=O)C1=CN=C(C=C1)SSCCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C16H19N3O5S2/c1-18(2)16(23)11-5-6-12(17-10-11)26-25-9-3-4-15(22)24-19-13(20)7-8-14(19)21/h5-6,10H,3-4,7-9H2,1-2H3
InChIKey
XDZYHHAHYBOELZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dioxopyrrolidin-1-yl 4-((5-(dimethylcarbamoyl)pyridin-2-yl)disulfanyl)butanoate
CAS: 663599-05-1
CID: 118797506
Formula: C16H19N3O5S2
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass397.07661306
Monoisotopic Mass397.07661306
Topological Polar Surface Area147 Ų
Heavy Atom Count26
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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