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Sulfo-DMAC-SPP

CAT: 0013-GTR19224941-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224941-02Size:500 mg
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Description
Sulfo-DMAC-SPP is a cleavable linker used in the construction of antibody-drug conjugates (ADCs) for targeted cancer therapy. It enables the controlled release of cytotoxic payloads in both in vitro and in vivo research settings, facilitating the study of ADC efficacy and stability.
CAS Number
663599-11-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (ON1C (=O) CC (C1=O) S (=O) (=O) O) CCC (SSC=2C=CN=CC2C (=O) N (C) C) C
Molecular Formula
C17H21N3O8S3
Molecular Weight
491.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-((3-(Dimethylcarbamoyl)pyridin-4-yl)disulfanyl)pentanoyloxy)-2,5-dioxopyrrolidine-3-sulfonic acid
CAS Number663599-11-9
PubChem CID118797179
IUPAC Name1-[4-[[3-(dimethylcarbamoyl)-4-pyridinyl]disulfanyl]pentanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
Molecular FormulaC17H21N3O8S3
Molecular Weight491.6
XLogP0.2
Topological Polar Surface Area210
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity814
SMILES
CC(CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O)SSC2=C(C=NC=C2)C(=O)N(C)C
InChI
InChI=1S/C17H21N3O8S3/c1-10(29-30-12-6-7-18-9-11(12)16(23)19(2)3)4-5-15(22)28-20-14(21)8-13(17(20)24)31(25,26)27/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,25,26,27)
InChIKey
BZNFRACCQKDBEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-((3-(Dimethylcarbamoyl)pyridin-4-yl)disulfanyl)pentanoyloxy)-2,5-dioxopyrrolidine-3-sulfonic acid
CAS: 663599-11-9
CID: 118797179
Formula: C17H21N3O8S3
MW: 491.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.6
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass491.04907816
Monoisotopic Mass491.04907816
Topological Polar Surface Area210 Ų
Heavy Atom Count31
Formal Charge0
Complexity814
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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