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CDA-IN-3

CAT: 0931-T206395-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T206395-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
932889-57-1
Target
Reactive Oxygen Species, Parasite, Antifungal
Related Pathways
NF-κB, Immunology/Inflammation, Microbiology/Virology, Metabolism
Bioactivity
CDA-IN-3 (NCDI) is a chitin deacetylase (CDA) inhibitor with antiparasitic properties. It disrupts chitin metabolism in nematodes, increasing ROS levels within these organisms and causing cellular damage. CDA-IN-3 significantly inhibits all developmental stages of Caenorhabditis elegans and can be utilized in research focused on anti-infective applications.
Smiles
O=C(NCCSC(C)(C)C)CN(C=1C=CC=CC1)S(=O)(=O)N(C)C
Molecular Formula
C16H27N3O3S2
Molecular Weight
373.534
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[2-(Tert-butylsulfanyl)ethyl]-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide
CAS Number932889-57-1
PubChem CID17200344
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
Molecular FormulaC16H27N3O3S2
Molecular Weight373.5
XLogP2
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity490
SMILES
CC(C)(C)SCCNC(=O)CN(C1=CC=CC=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C16H27N3O3S2/c1-16(2,3)23-12-11-17-15(20)13-19(24(21,22)18(4)5)14-9-7-6-8-10-14/h6-10H,11-13H2,1-5H3,(H,17,20)
InChIKey
BEFSWUXXPAETIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(Tert-butylsulfanyl)ethyl]-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide
CAS: 932889-57-1
CID: 17200344
Formula: C16H27N3O3S2
MW: 373.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.5
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass373.14938408
Monoisotopic Mass373.14938408
Topological Polar Surface Area103 Ų
Heavy Atom Count24
Formal Charge0
Complexity490
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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