ChemicalBook--->CAS DataBase List--->1399177-37-7

1399177-37-7

1399177-37-7 Structure

1399177-37-7 Structure
IdentificationBack Directory
[Name]

4-(1-(4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzoyl)piperidin-4-yl)benzonitrile
[CAS]

1399177-37-7
[Synonyms]

TVB2640
TVB-2640
FASN-IN-2
EOS-61292
FASN inhibitor 2
4-(1-(4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzoyl)piperidin-4-yl)benzonitrile
Benzonitrile, 4-[1-[4-cyclobutyl-2-methyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)benzoyl]-4-piperidinyl]-
[Molecular Formula]

C27H29N5O
[MOL File]

1399177-37-7.mol
[Molecular Weight]

439.55
Chemical PropertiesBack Directory
[Boiling point ]

708.3±70.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[solubility ]

DMSO: soluble
[form ]

A solid
[pka]

9.96±0.40(Predicted)
[color ]

White to off-white
[InChIKey]

BBGOSBDSLYHMRA-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(C2CCN(C(=O)C3=CC(C4NN=C(C)N=4)=C(C4CCC4)C=C3C)CC2)C=C1
Hazard InformationBack Directory
[Uses]

Denifanstat (TVB-2640) is an orally active and potent Fatty Acid Synthase (FASN) inhibitor with an IC50 of 0.052 μM and an EC50 of 0.072 μM. Denifanstat has the potential for fatty liver disease and cancer research[1][2].
[References]

[1] Minhyoung Lee, et al. Fatty Acid Synthase inhibition prevents palmitoylation of SARS-CoV2 Spike Protein and improves survival of mice infected with murine hepatitis virus. BioRxiv, December 21, 2020.
[2] Johan D., et al. Heterocyclic modulators of lipid synthesis. WO2012122391A1.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(1-(4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzoyl)piperidin-4-yl)benzonitrile(1399177-37-7)1HNMR
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