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IWR-1-endo

CAT: 0957-S7086-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:0957-S7086-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1127442-82-3
Synonyms
Endo-IWR 1, IWR-1
Target
Wnt/beta-catenin
Applications
Cytoskeletal Signaling
Smiles
C1C2C=CC1C3C2C (=O) N (C3=O) C4=CC=C (C=C4) C (=O) NC5=CC=CC6=C5N=CC=C6
Molecular Formula
C25H19N3O3
Additionnal Information
IWR-1-endo (endo-IWR 1, IWR-1) is a Wnt pathway inhibitor with IC50 of 180 nM in L-cells expressing Wnt3A, induces Axin2 protein levels and promotes β-catenin phosphorylation by stabilizing Axin-scaffolded destruction complexes.
Storage Conditions
2 years -80 in solvent

Chemical Information

IWR-1-endo

IWR-1-endo is a dicarboximide having an endo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. It has a role as an axin stabilizer and a Wnt signalling inhibitor. It is a member of benzamides, a member of quinolines, a dicarboximide and a bridged compound.

CAS Number1127442-82-3
PubChem CID44483163
IUPAC Name4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide
Molecular FormulaC25H19N3O3
Molecular Weight409.4
XLogP2.9
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity772
SMILES
C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6
InChI
InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+
InChIKey
ZGSXEXBYLJIOGF-ALFLXDJESA-N
Chemical Structure
2D Structure
2D structure of IWR-1-endo
CAS: 1127442-82-3
CID: 44483163
Formula: C25H19N3O3
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass409.14264148
Monoisotopic Mass409.14264148
Topological Polar Surface Area79.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity772
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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