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EMT inhibitor-1

CAT: 0013-GTR19205942-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205942-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EMT inhibitor-1 is a small molecule compound that suppresses Hippo, Wnt, and TGF-β signaling pathways. It demonstrates antitumor activity and is utilized in cancer research to study epithelial-mesenchymal transition, tumor microenvironment interactions, and metastasis in both cellular and animal models.
CAS Number
1638526-21-2
Product Name Alternative
Wnt/β-catenin, Wnt/betacatenin, Wnt/b-catenin, Wnt, βcatenin, betacatenin, beta-catenin, bcatenin, EMT inhibitor 1, EMT inhibitor1, EMT inhibitor-1
Field of Research
Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.00% (May vary between batches)
Solubility
DMSO:250 mg/mL (783.18 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (10.34 mM)
Smiles
OCCCCOc1nsnc1-c1ccc (Cl) c (Cl) c1
Molecular Formula
C12H12Cl2N2O2S
Molecular Weight
319.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

EMT inhibitor-1
CAS Number1638526-21-2
PubChem CID90718214
IUPAC Name4-[[4-(3,4-dichlorophenyl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-ol
Molecular FormulaC12H12Cl2N2O2S
Molecular Weight319.2
XLogP3.6
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity276
SMILES
C1=CC(=C(C=C1C2=NSN=C2OCCCCO)Cl)Cl
InChI
InChI=1S/C12H12Cl2N2O2S/c13-9-4-3-8(7-10(9)14)11-12(16-19-15-11)18-6-2-1-5-17/h3-4,7,17H,1-2,5-6H2
InChIKey
FWMUIOJZHOPPDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EMT inhibitor-1
CAS: 1638526-21-2
CID: 90718214
Formula: C12H12Cl2N2O2S
MW: 319.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.2
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass317.9996542
Monoisotopic Mass317.9996542
Topological Polar Surface Area83.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity276
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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