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DMAC-SPDB-sulfo

CAT: 0013-GTR19188867Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188867Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMAC-SPDB-sulfo is a cleavable, sulfonated linker used in the synthesis of antibody-drug conjugates (ADCs) . It enables the controlled release of cytotoxic payloads in target cells, facilitating research into ADC efficacy and mechanism in both in vitro and in vivo models.
CAS Number
663599-07-3
Smiles
CN (C) C (=O) c1ccc (SSCCCC (=O) ON2C (=O) CC (C2=O) S (O) (=O) =O) nc1
Molecular Formula
C16H19N3O8S3
Molecular Weight
477.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-((5-(Dimethylcarbamoyl)pyridin-2-yl)disulfanyl)butanoyloxy)-2,5-dioxopyrrolidine-3-sulfonic acid
CAS Number663599-07-3
PubChem CID118797504
IUPAC Name1-[4-[[5-(dimethylcarbamoyl)-2-pyridinyl]disulfanyl]butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
Molecular FormulaC16H19N3O8S3
Molecular Weight477.5
XLogP0.1
Topological Polar Surface Area210
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity783
SMILES
CN(C)C(=O)C1=CN=C(C=C1)SSCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O
InChI
InChI=1S/C16H19N3O8S3/c1-18(2)15(22)10-5-6-12(17-9-10)29-28-7-3-4-14(21)27-19-13(20)8-11(16(19)23)30(24,25)26/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,24,25,26)
InChIKey
KMRAQLKAJPMTOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-((5-(Dimethylcarbamoyl)pyridin-2-yl)disulfanyl)butanoyloxy)-2,5-dioxopyrrolidine-3-sulfonic acid
CAS: 663599-07-3
CID: 118797504
Formula: C16H19N3O8S3
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass477.03342809
Monoisotopic Mass477.03342809
Topological Polar Surface Area210 Ų
Heavy Atom Count30
Formal Charge0
Complexity783
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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