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FT113 - 10mM in DMSO, high purity , CAS No.1630808-89-7
Fatty Acid Synthase Inhibitors
Basic Description
Synonyms
Methanone,[4-[4-(6-fluoro-2-benzoxazolyl)benzoyl]-1-piperazinyl](1-hydroxycyclopropyl)-
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
FT113 is a potent inhibitor of fatty acid synthase (FAS/FASN) with ic50 of 213 nM.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
FT113 FT113 is a potent inhibitor of fatty acid synthase (FAS/FASN) with ic50 of 213 nM.
Targets
FASN (Cell-free assay) 213 nM
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzamides
Alternative Parents
Benzoyl derivatives Piperazines N-acyl amines Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Tertiary alcohols Oxazoles Heteroaromatic compounds Cyclic alcohols and derivatives Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Fluoroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzoyl - Piperazine - N-acyl-amine - 1,4-diazinane - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary alcohol - Oxazole - Azole - Cyclopropanol - Carboxamide group - Oxacycle - Azacycle - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
2.004
hba_count
4
Rotatable Bond
3
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
INCHI
InChI=1S/C22H20FN3O4/c23-16-5-6-17-18(13-16)30-19(24-17)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2
InChIKey
DSTWHRGOCUOKDE-UHFFFAOYSA-N
Smiles
C1CC1(C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NC5=C(O4)C=C(C=C5)F)O
Isomeric SMILES
C1CC1(C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NC5=C(O4)C=C(C=C5)F)O
Molecular Weight
409.41
Reaxy-Rn
27578736
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27578736&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
28
DMSO(mM) Max Solubility
68.3910993869226
Water(mg / mL) Max Solubility
＜1
Molecular Weight
409.400 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
409.144 Da
Monoisotopic Mass
409.144 Da
Topological Polar Surface Area
86.900 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
671.000
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
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