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CAY10566

CAT: 0013-GTR19156816-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156816-01Size:200 mg
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Description
CAY10566 shows excellent cellular activity in blocking the conversion of saturated long-chain fatty acid-CoAs (LCFA-CoAs) to monounsaturated LCFA-CoAs in HepG2 cells (IC50=7.9 nM or 6.8 nM) . CAY10566 is a potent, orally bioavailable and selective stearoyl-CoA desaturase1 (SCD1) inhibitor with IC50s of 4.5 and 26 nM in mouse and human enzymatic assays, respectively..CAY10566 (0.0001-10 μM; 24 hours), concentration-dependently, decreases Swiss 3T3 cell proliferation.After establishment of palpable tumors, the mice are treated with vehicle or SCD1 inhibitor (2.5 mg/kg CAY10566 orally twice daily) . The effect of SCD1 inhibition on the Akt-driven tumors is greater than on the Ras-driven tumors. With the mean tumor volume at day 13 or 14 post therapy, relative to untreated tumors, 0.5±0.04 and 0.67±0.05 respectively (P=0.01 for Ras-Akt comparison, by two-tailed t test) .
CAS Number
944808-88-2
Purity
>98% (HPLC)
Solubility
DMSO:24 mg/mL (61.57 mM; Need ultrasonic)
Smiles
Cc1nnc (o1) -c1ccc (nn1) N1CCC (CC1) Oc1cc (F) ccc1Cl
Molecular Formula
C18H17ClFN5O2
Molecular Weight
389.81
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole

2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole is an organic molecular entity.

CAS Number944808-88-2
PubChem CID16732433
IUPAC Name2-[6-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-5-methyl-1,3,4-oxadiazole
Molecular FormulaC18H17ClFN5O2
Molecular Weight389.8
XLogP3.2
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity485
SMILES
CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl
InChI
InChI=1S/C18H17ClFN5O2/c1-11-21-24-18(26-11)15-4-5-17(23-22-15)25-8-6-13(7-9-25)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3
InChIKey
WFOFPVXMPTVOTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole
CAS: 944808-88-2
CID: 16732433
Formula: C18H17ClFN5O2
MW: 389.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.8
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass389.1054807
Monoisotopic Mass389.1054807
Topological Polar Surface Area77.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity485
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

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