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ATB-337

CAT: 0931-T21939-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21939-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
912758-00-0
Target
MDM-2/p53, JNK, COX, Others
Related Pathways
Apoptosis, Immunology/Inflammation, Others, MAPK, Neuroscience
Bioactivity
S-Diclofenac is a novel NSAID formed by linking diclofenac to an H2S-releasing moiety. S-Diclofenac spares the gastric mucosa of injury despite markedly suppressing prostaglandin synthesis [1].
Smiles
N(C1=C(CC(OC2=CC=C(C=C2)C=3SSC(=S)C3)=O)C=CC=C1)C4=C(Cl)C=CC=C4Cl
Molecular Formula
C23H15Cl2NO2S3
Molecular Weight
504.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S-Diclofenac

an NSAID; structure in first source

CAS Number912758-00-0
PubChem CID11948307
IUPAC Name[4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
Molecular FormulaC23H15Cl2NO2S3
Molecular Weight504.5
XLogP6.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity674
SMILES
C1=CC=C(C(=C1)CC(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3)NC4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C23H15Cl2NO2S3/c24-17-5-3-6-18(25)23(17)26-19-7-2-1-4-15(19)12-21(27)28-16-10-8-14(9-11-16)20-13-22(29)31-30-20/h1-11,13,26H,12H2
InChIKey
BRDUXOHVEZVAHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-Diclofenac
CAS: 912758-00-0
CID: 11948307
Formula: C23H15Cl2NO2S3
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass502.9641976
Monoisotopic Mass502.9641976
Topological Polar Surface Area121 Ų
Heavy Atom Count31
Formal Charge0
Complexity674
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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