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Denifanstat

CAT: 0127-BUP12571-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12571-03Size:25 mg
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CAS Number
1399177-37-7
Synonyms
FASN-IN-2, TVB2640, TVB-2640
Purity
=98%
Smiles
Cc1n[nH]c(n1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1

Chemical Information

Denifanstat

Denifanstat is an orally bioavailable fatty acid synthase (FASN) inhibitor, with potential antineoplastic activity. Upon administration, denifanstat binds to and blocks FASN, which prevents the synthesis of palmitate needed for tumor cell growth and survival.

CAS Number1399177-37-7
PubChem CID66548316
IUPAC Name4-[1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl]benzonitrile
Molecular FormulaC27H29N5O
Molecular Weight439.6
XLogP5.3
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity728
SMILES
CC1=CC(=C(C=C1C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)C4=NNC(=N4)C)C5CCC5
InChI
InChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31)
InChIKey
BBGOSBDSLYHMRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Denifanstat
CAS: 1399177-37-7
CID: 66548316
Formula: C27H29N5O
MW: 439.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.6
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass439.23721057
Monoisotopic Mass439.23721057
Topological Polar Surface Area85.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity728
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

Alternative Products

CatalogName
A9985-10Denifanstat
C14434-25mgDenifanstat (TVB-2640)
A13063-100Denifanstat (TVB-2640) 100mg
A13063-50Denifanstat (TVB-2640) 50mg
A13063-10Denifanstat (TVB-2640) 10mg
A13063-1Denifanstat (TVB-2640) 1mg
A13063-500Denifanstat (TVB-2640) 500mg
A13063-25Denifanstat (TVB-2640) 25mg
A13063-5Denifanstat (TVB-2640) 5mg
A13063-10mM-DDenifanstat (TVB-2640) 10mM * 1mL in DMSO

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