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ICRT-5

CAT: 0931-T27582-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T27582-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18623-44-4
Target
Apoptosis, Wnt/beta-catenin
Related Pathways
Cytoskeletal Signaling, Stem Cells, Apoptosis
Purity
0.9968
Bioactivity
ICRT-5 is a potent inhibitor of the Wnt pathway. iCRT-5 has antiproliferative activity, blocking Wnt/β-catenin expression and inducing apoptosis. iCRT-5 can be used in the study of multiple myeloma.
Smiles
COc1ccc(\C=C2/SC(=S)N(CCCC(O)=O)C2=O)cc1OC
Molecular Formula
C16H17NO5S2
Molecular Weight
367.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[5-(3,4-Dimethoxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-butyric acid

ICRT5 is an organic molecular entity. It has a role as a Wnt signalling inhibitor.

CAS Number18623-44-4
PubChem CID1416325
IUPAC Name4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Molecular FormulaC16H17NO5S2
Molecular Weight367.4
XLogP2.8
Topological Polar Surface Area133
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity537
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O)OC
InChI
InChI=1S/C16H17NO5S2/c1-21-11-6-5-10(8-12(11)22-2)9-13-15(20)17(16(23)24-13)7-3-4-14(18)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19)/b13-9-
InChIKey
IJWKSBPTJQMUHJ-LCYFTJDESA-N
Chemical Structure
2D Structure
2D structure of 4-[5-(3,4-Dimethoxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-butyric acid
CAS: 18623-44-4
CID: 1416325
Formula: C16H17NO5S2
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass367.05481499
Monoisotopic Mass367.05481499
Topological Polar Surface Area133 Ų
Heavy Atom Count24
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA9149-5iCRT-5
255486-01ICRT 14
MBS3606479-01iCRT-3
MBS6109781-01iCRT-14

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