Products for Research Use Only

YTX-465

CAT: 0013-GTR19166805-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166805-02Size:5 mg
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Description
YTX-465 is a dual inhibitor of stearoyl-CoA desaturase (SCD1) and the yeast enzyme Ole1, with respective IC50 values of 39 nM and 30.4 μM. This small molecule is a valuable research tool for investigating lipid metabolism in both cellular (in vitro) and organismal (in vivo) models, particularly in studies related to metabolic disorders and cancer.
CAS Number
2225824-53-1
Product Name Alternative
SCD, synucleinopathies, StearoylCoA Desaturase (SCD), Stearoyl-CoA Desaturase (SCD), StearoylCoADesaturase, Stearoyl-CoA Desaturase, StearoylCoADesaturase (SCD), YTX 465, YTX465, YTX-465, α-synuclein, inhibit, Ole1, Parkinson's disease, fatty desaturation, Inhibitor
Field of Research
Metabolism Research
Purity
99.41% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.36 mM) ; DMSO:50 mg/mL (109.05 mM)
Smiles
Cc1nn (C) c2cc (ccc12) -c1noc (n1) C1CCN (CC1) C (=O) CNC (=O) c1ccccc1
Molecular Formula
C25H26N6O3
Molecular Weight
458.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 134477586
CAS Number2225824-53-1
PubChem CID134477586
IUPAC NameN-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
Molecular FormulaC25H26N6O3
Molecular Weight458.5
XLogP2.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity723
SMILES
CC1=NN(C2=C1C=CC(=C2)C3=NOC(=N3)C4CCN(CC4)C(=O)CNC(=O)C5=CC=CC=C5)C
InChI
InChI=1S/C25H26N6O3/c1-16-20-9-8-19(14-21(20)30(2)28-16)23-27-25(34-29-23)18-10-12-31(13-11-18)22(32)15-26-24(33)17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,26,33)
InChIKey
UNYSKYOVUXWBJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 134477586
CAS: 2225824-53-1
CID: 134477586
Formula: C25H26N6O3
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass458.20663871
Monoisotopic Mass458.20663871
Topological Polar Surface Area106 Ų
Heavy Atom Count34
Formal Charge0
Complexity723
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