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FT113

CAT: 0804-HY-111551-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-111551-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FT113 is a potent and orally active fatty acid synthase (FASN) inhibitor, with an IC50 of 213 nM for full-length recombinant human FASN enzyme. In cell-based assay, FT113 blocks FASN activity in BT474 cells (IC50, 90 nM) . FT113 shows anti-proliferative activity, and exhibits anti-cancer activity both in vitro and in vivo[1].
CAS Number
1630808-89-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Fatty Acid Synthase (FASN)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/FT113.html
Purity
99.39
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
O=C(C1(CC1)O)N2CCN(C(C3=CC=C(C4=NC5=C(C=C(F)C=C5)O4)C=C3)=O)CC2
Molecular Formula
C22H20FN3O4
Molecular Weight
409.41
Precautions
H302, H315, H319, H335
References & Citations
[1]Martin MW, et al. Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN) . Bioorg Med Chem Lett. 2019 Apr 15;29 (8) :1001-1006.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(4-(4-(6-Fluorobenzo[d]oxazol-2-yl)benzoyl)piperazin-1-yl)(1-hydroxycyclopropyl)methanone
CAS Number1630808-89-7
PubChem CID118621601
IUPAC Name[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
Molecular FormulaC22H20FN3O4
Molecular Weight409.4
XLogP1.9
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity671
SMILES
C1CC1(C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NC5=C(O4)C=C(C=C5)F)O
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
Chemical Structure
2D Structure
2D structure of (4-(4-(6-Fluorobenzo[d]oxazol-2-yl)benzoyl)piperazin-1-yl)(1-hydroxycyclopropyl)methanone
CAS: 1630808-89-7
CID: 118621601
Formula: C22H20FN3O4
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass409.14378429
Monoisotopic Mass409.14378429
Topological Polar Surface Area86.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity671
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
MBS133169FT113
A19402-50FT113 50mg
A19402-100FT113 100mg
A19402-10FT113 10mg
A19402-25FT113 25mg
A19402-5FT113 5mg
A19402-2FT113 2mg
A19402-10mM-DFT113 10mM * 1mL in DMSO

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