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Lotilaner

CAT: 0931-T15775-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T15775-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1369852-71-0
Target
Parasite, GABA Receptor
Related Pathways
Membrane transporter/Ion channel, Microbiology/Virology, Neuroscience
Purity
0.9956
Bioactivity
Lotilaner is a parasiticide. It is used as a potent non-competitive antagonist of insects GABACl receptors (IC50 of 23.84 nM for Drosophila melanogaster GABA receptor) . It also has no effect on a dog GABAA receptor.
Smiles
Cc1cc(sc1C(=O)NCC(=O)NCC(F)(F)F)C1=NO[C@@](C1)(c1cc(Cl)c(Cl)c(Cl)c1)C(F)(F)F
Molecular Formula
C20H14Cl3F6N3O3S
Molecular Weight
596.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lotilaner

Lotilaner is a member of the class of isoxazoles that is 4,5-dihydro-1,2-oxazole substituted by 4-methyl-5-({2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}carbamoyl)thiophen-2-yl, trifluoromethyl, and 3,4,5-trichlorophenyl groups at positions 3, 5 and 5, respectively (the 5S-stereoisomer). It is a gamma-aminobutyric acid (GABA)-gated chloride channel inhibitor selective for mites, approved for the treatment of Demodex blepharitis. It has a role as an ectoparasiticide, a GABA-gated chloride channel antagonist and an ophthalmology drug. It is a secondary carboxamide, a member of thiophenes, a trichlorobenzene, an organofluorine compound and a member of isoxazoles.

CAS Number1369852-71-0
PubChem CID76959255
IUPAC Name3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-[(5S)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]thiophene-2-carboxamide
Molecular FormulaC20H14Cl3F6N3O3S
Molecular Weight596.8
XLogP6.6
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity868
SMILES
CC1=C(SC(=C1)C2=NO[C@@](C2)(C3=CC(=C(C(=C3)Cl)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F
InChI
InChI=1S/C20H14Cl3F6N3O3S/c1-8-2-13(36-16(8)17(34)30-6-14(33)31-7-19(24,25)26)12-5-18(35-32-12,20(27,28)29)9-3-10(21)15(23)11(22)4-9/h2-4H,5-7H2,1H3,(H,30,34)(H,31,33)/t18-/m0/s1
InChIKey
HDKWFBCPLKNOCK-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Lotilaner
CAS: 1369852-71-0
CID: 76959255
Formula: C20H14Cl3F6N3O3S
MW: 596.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.8
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass594.972565
Monoisotopic Mass594.972565
Topological Polar Surface Area108 Ų
Heavy Atom Count36
Formal Charge0
Complexity868
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-116564-01Lotilaner
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A18814-500Lotilaner 500mg
A18814-5Lotilaner 5mg
A18814-1Lotilaner 1mg
A18814-100Lotilaner 100mg
A18814-25Lotilaner 25mg
A18814-10Lotilaner 10mg
RM-L677007-01Lotilaner Impurity 7
RM-L677005-01Lotilaner Impurity 5

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