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Heclin

CAT: 0931-T24136-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24136-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
890605-54-6
Target
NEDD4-1, Akt, E1/E2/E3 Enzyme, MyD88
Related Pathways
PI3K/Akt/mTOR signaling, Ubiquitination, Cytoskeletal Signaling, Immunology/Inflammation, Metabolism
Purity
0.9925
Bioactivity
Heclin is an inhibitor of HECT E3 ubiquitin ligase that acts by inhibiting Smurf2, Nedd4, and WWP1 with IC50 values of 6.8, 6.3, and 6.9 μM, respectively.
Smiles
CCc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(C)=O)o1
Molecular Formula
C17H17NO3
Molecular Weight
283.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CAS Number890605-54-6
PubChem CID7464118
IUPAC Name(E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
Molecular FormulaC17H17NO3
Molecular Weight283.32
XLogP2.8
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity397
SMILES
CCC1=CC=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C17H17NO3/c1-3-15-8-9-16(21-15)10-11-17(20)18-14-6-4-13(5-7-14)12(2)19/h4-11H,3H2,1-2H3,(H,18,20)/b11-10+
InChIKey
SPTWXRJNCFIDRQ-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of (2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CAS: 890605-54-6
CID: 7464118
Formula: C17H17NO3
MW: 283.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.32
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass283.12084340
Monoisotopic Mass283.12084340
Topological Polar Surface Area59.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity397
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

Alternative Products

CatalogName
BA6085-5.1Heclin
TBI1534-5MGHeclin, HECT domain containing E3 ubiquitin ligase inhibitor

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