ne-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-m

Base Information

• Chemical Name: ne-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-m
• CAS No.: 70288-86-7
• Molecular Formula: Unspecified
• Molecular Weight: 875.09300
• Hs Code.: 29322090
• European Community (EC) Number: 276-046-2,274-536-0
• Wikipedia: Ivermectin
• NCI Thesaurus Code: C61796
• RXCUI: 6069
• ChEMBL ID: CHEMBL112388
• Mol file: 70288-86-7.mol

Synonyms:Soolantra;Sklice;IVERMECTIN;(10E,14E,16E)-6'-Butan-2-yl-21,24-dihydroxy-12-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-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;(1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,16Z,20R,21R,24S)-6'-[(2S)-Butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-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;71827-03-7;Ivermectin [USAN:INN:BAN];ne-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-m;(2aE,4E,8E)-6'-(butan-2-yl)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadeci;70288-86-7;C48H74O14.C47H72O14;C48-H74-O14.C47-H72-O14;Pesticide4_Ivermectin_C48H74O14_22,23-dihydroavermectin B1;CHEMBL112388;BBL036272;STL558691;AKOS037515897;PD129995;VS-13398;EN300-297602;(10'E,14'E,16'E)-6-(butan-2-yl)-21',24'-dihydroxy-12'-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1?,?.0(2)?,(2)?]pentacosane]-10',14',16',22'-tetraen-2'-one;6-(butan-2-yl)-21',24'-dihydroxy-12'-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one

Chemical Property of ne-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-m

Chemical Property:

• Appearance/Colour: White crystalline powder
• PSA: 170.06000
• LogP: 5.60140
• Storage Temp.: 2-8°C
• Solubility.: H2O: ≤1.0% KF
• Water Solubility.: 4mg/L(temperature not stated)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 874.50785703
• Heavy Atom Count: 62
• Complexity: 1680

Purity/Quality:

99%, ^*data from raw suppliers

Ivermectin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xn,T+
• Hazard Codes: T,Xn,T+
• Statements: 61-25-36-36/38-22-28
• Safety Statements: 53-26-45-36-36/37-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Drug Classes: Anthelmintic Agents
• Canonical SMILES: CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C
• Isomeric SMILES: CCC(C)C1C(CCC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)\C)C
• Recent EU Clinical Trials: A multicentre randomised, Double-Blind, Placebo-controlled, Study to evaluate the efficAcy and safety of oral IVErmectin tablets in the prevention of COVID-19 (the SAIVE Trial)
• Antiviral Properties: Laboratory tests have shown that ivermectin can inhibit the replication of viruses, including SARS鈥怌oV鈥?2, in vitro. However, significant doses would be required in humans to achieve such effects, and medical regulators have not approved ivermectin for COVID鈥?19. Its potential antiviral function against various viral infections, including flavivirus and coronaviruses, has been explored.
• Chemical Composition and Pharmacokinetics: Ivermectin is a mixture of more than 80% 22,23-dihydro avermectin B1a and B1b. It exhibits potent anthelmintic and insecticidal properties when administered orally at therapeutic doses to various animals and humans. Despite its efficacy, it has a wide safety margin, with acute toxicities observed at high doses in animal studies.
• Mechanism of Action: Ivermectin acts as a positive allosteric modulator, selectively opening inhibitory glutamate-gated chloride ion channels in various organisms. Its effects include inhibition of pharyngeal pumping, motility, egg or microfilaria release, and loss of host immunosuppression in targeted tissues.
• Modes of Action: Ivermectin stimulates gamma amino butyric acid (GABA)-gated-Cl鈭? channels, leading to hyperpolarization and paralysis of infesting organisms. It also modulates the host immune response, activating neutrophils and increasing levels of C-reactive protein and interleukin-6.
• Pharmacokinetics in the Lungs: Ivermectin's ability to reach the lungs after oral dosing is influenced by factors such as its high lipophilicity, low ionization at physiologic pH, and binding to proteins in the lungs. Although lung tissue concentrations cannot be directly measured in humans, ivermectin exposure in lung homogenates has been reported to be higher than plasma exposure in animal studies.
• Antiparasitic Agent: Ivermectin is primarily used to treat parasites such as intestinal parasites in animals and scabies in humans. It has been widely used in regions where parasitic infestations are common due to its effectiveness and low cost. Ivermectin has few unwanted effects when used appropriately.