≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
FASN-IN-3 is a fatty acid synthase ( FASN ) inhibitor extracted from patent US20170119786A1, compound 242A
In Vitro
Human PBMC and monocytes in cell cultures are stimulated with lipopolysaccharide (LPS), a Toll 4 receptor agonist, or lipoteichoic acid (LTA), a Toll 2 receptor agonist. Stimulation with either LPS or LTA plus DMSO, the solvent for FASN-IN-3 (Compound 242A), results in secretion of IL-1 beta. FASN inhibitor 1 treatment of PBMC, which is a mixed population of mononuclear cells including both lymphocytes and monocytes, reduces the level of IL-1 beta resulting from either LPS or LTA stimulation. For monocytes, FASN-IN-3 treatment reduces the level of IL-1 beta resulting from LTA stimulation whereas there is only a slight reduction after LPS stimulation. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:FASN
| Canonical Smiles | CC1=CC(=C(C=C1C2=NNC(=C2C)C)C(=O)N3CC(C3)C4=CC=C(C=C4)C#N)C |
|---|---|
| IUPAC Name | 4-[1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile |
| InChIKey | ICDQFUFDAFKCAX-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | CC1=CC(=C(C=C1C2=NNC(=C2C)C)C(=O)N3CC(C3)C4=CC=C(C=C4)C#N)C |
| PubChem CID | 72947731 |
| MeSH Entry Terms | 4-(1-(5-(3,4-dimethyl-1H-pyrazol-5-yl)-2,4-dimethylbenzoyl)azetidin-3-yl)benzonitrile;TVB 3166;TVB-3166;TVB3166 |
| Molecular Weight | 384.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Phenylazetidines Benzamides m-Xylenes Benzoyl derivatives Benzonitriles Tertiary carboxylic acid amides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - 3-phenylazetidine - Benzoic acid or derivatives - Benzamide - M-xylene - Xylene - Benzoyl - Benzonitrile - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azetidine - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Solubility | DMSO : 33.33 mg/mL (86.69 mM; ultrasonic and warming and heat to 80°C) |
|---|---|
| Molecular Weight | 384.500 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 384.195 Da |
| Monoisotopic Mass | 384.195 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 643.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
