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Selamectin

CAT: 0804-HY-107212-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107212-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Selamectin, a semi-synthetic macrocyclic lactone, is a potent parasiticide and anthelminthic. Selamectin activates glutamate-gated chloride channels in neurons and pharyngeal muscles to prevent heartworm, Lymphatic filariae, and nematode infection. Selamectin is also a potent P-glycoprotein substrate and a P-glycoprotein inhibitor with an IC50 of 120 nM[1][2].
CAS Number
220119-17-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial; Chloride Channel; Parasite; P-glycoprotein
Type
Reference compound
Related Pathways
Anti-infection; Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Selamectin.html
Purity
99.31
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O[C@@]12[C@@]3([H])/C(C(C)=C[C@@]1([H])C(O[C@]4([H])C[C@]5(O[C@@](C/C=C(C)/[C@@H](O[C@@]6([H])C[C@@H]([C@@H](O)[C@H](C)O6)OC)[C@@H](C)/C=C/C=C2\CO3)([H])C4)O[C@H](C7CCCCC7)[C@@H](C)CC5)=O)=N\O
Molecular Formula
C43H63NO11
Molecular Weight
769.96
Precautions
H302, H315, H319, H335
References & Citations
[1]Patsharaporn T Sarasombath, et al. First study of topical selamectin efficacy for treating cats naturally infected with Brugia malayi and Brugia pahangi under field conditions. Parasitol Res. 2019 Apr;118 (4) :1289-1297.|[2]J Griffin, et al. Selamectin is a potent substrate and inhibitor of human and canine P-glycoprotein. J Vet Pharmacol Ther. 2005 Jun;28 (3) :257-65.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Selamectin

Selamectin is a milbemycin.

CAS Number220119-17-5
PubChem CID9578507
IUPAC Name(1R,4S,5'S,6R,6'S,8R,10E,12S,13S,14E,16E,20R,21Z,24S)-6'-cyclohexyl-24-hydroxy-21-hydroxyimino-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Molecular FormulaC43H63NO11
Molecular Weight770.0
XLogP5.4
Topological Polar Surface Area155
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count55
Formal Charge0
Complexity1550
SMILES
C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)\C)O[C@@H]1C7CCCCC7
InChI
InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1
InChIKey
AFJYYKSVHJGXSN-XHKIUTQPSA-N
Chemical Structure
2D Structure
2D structure of Selamectin
CAS: 220119-17-5
CID: 9578507
Formula: C43H63NO11
MW: 770.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight770.0
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass769.44011183
Monoisotopic Mass769.44011183
Topological Polar Surface Area155 Ų
Heavy Atom Count55
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
S068-1GSelamectin

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