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TVB-3166

CAT: 0957-S3576-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0957-S3576-04Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TVB-3166 is an orally-available, reversible, potent and selective inhibitor of fatty acid synthase (FASN) with IC50 of 0.042 μM in an in vitro biochemical assay. TVB-3166 induces apoptosis, and inhibits in-vivo xenograft tumor growth.
CAS Number
1533438-83-3
Target
Fatty Acid Synthase
Activity
Metabolism
Molecular Formula
C24H24N4O
Storage Conditions
3 years -20°C powder

Chemical Information

4-(1-(5-(3,4-dimethyl-1H-pyrazol-5-yl)-2,4-dimethylbenzoyl)azetidin-3-yl)benzonitrile

Fatty Acid Synthase, Type I inhibitor

CAS Number1533438-83-3
PubChem CID72947731
IUPAC Name4-[1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile
Molecular FormulaC24H24N4O
Molecular Weight384.5
XLogP4.1
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity643
SMILES
CC1=CC(=C(C=C1C2=NNC(=C2C)C)C(=O)N3CC(C3)C4=CC=C(C=C4)C#N)C
InChI
InChI=1S/C24H24N4O/c1-14-9-15(2)22(10-21(14)23-16(3)17(4)26-27-23)24(29)28-12-20(13-28)19-7-5-18(11-25)6-8-19/h5-10,20H,12-13H2,1-4H3,(H,26,27)
InChIKey
ICDQFUFDAFKCAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(1-(5-(3,4-dimethyl-1H-pyrazol-5-yl)-2,4-dimethylbenzoyl)azetidin-3-yl)benzonitrile
CAS: 1533438-83-3
CID: 72947731
Formula: C24H24N4O
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass384.19501140
Monoisotopic Mass384.19501140
Topological Polar Surface Area72.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity643
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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Alternative Products

CatalogName
BA2744-5.1TVB-3166
A18763-2TVB-3166 2mg
A18763-25TVB-3166 25mg
A18763-100TVB-3166 100mg
A18763-50TVB-3166 50mg
A18763-10TVB-3166 10mg
A18763-5TVB-3166 5mg
A18763-1TVB-3166 1mg
A18763-10mM-DTVB-3166 10mM * 1mL in DMSO
GTR19238676-01PF-3166

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