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Doramectin

CAT: 0804-HY-17035-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-17035-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Doramectin is a derivative of Ivermectin. Doramectin is a potent antiparasitic antibiotic. Doramectin is an active compound against S.mansoni in an NMRI mouse infection model[1][2][3].
CAS Number
117704-25-3
UNSPSC
12352005
Hazard Statement
H301, H410
Target
Antibiotic; Bacterial; Parasite
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Doramectin.html
Concentration
10mM
Purity
98.98
Solubility
DMSO : ≥ 50 mg/mL
Smiles
CO[C@@H]1[C@@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](OC)C2)[C@H](C)O[C@@]([H])(O[C@H](/C(C)=C/C[C@]3([H])C[C@]([H])(OC4=O)C[C@]5(C=C[C@H](C)[C@@H](C6CCCCC6)O5)O3)[C@@H](C)/C=C/C=C7CO[C@@]8([H])[C@]\7(O)[C@@]4([H])C=C(C)[C@H]8O)C1
Molecular Formula
C50H74O14
Molecular Weight
899.11
Precautions
H301, H410
References & Citations
[1]Davey RB, Pound JM, Klavons JA, Lohmeyer KH, Freeman JM, Olafson PU. Analysis of doramectin in the serum of repeatedly treated pastured cattle used to predict the probability of cattle fever ticks (Acari: Ixodidae) feeding to repletion. Exp Appl Acarol. 2012 Apr;56 (4) :365-74. doi: 10.1007/s10493-012-9525-1.|[2]Wang XJ, Zhang J, Wang JD, Huang SX, Chen YH, Liu CX, Xiang WS. Four new doramectin congeners with acaricidal and insecticidal activity from Streptomyces avermitilis NEAU1069. Chem Biodivers. 2011 Nov;8 (11) :2117-25. doi: 10.1002/cbdv.201000295.|[3]Gordana Panic, et al. Activity Profile of an FDA-Approved Compound Library against Schistosoma mansoni. PLoS Negl Trop Dis. 2015 Jul 31;9 (7) :e0003962.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Doramectin

Doramectin is a veterinary drug approved by the Food and Drug Administration for the treatment of parasites such as gastrointestinal roundworms, lungworms, eyeworms, grubs, sucking lice and mange mites in cattle.

CAS Number117704-25-3
PubChem CID9832750
IUPAC Name(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-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-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
Molecular FormulaC50H74O14
Molecular Weight899.1
XLogP4.5
Topological Polar Surface Area170
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count64
Formal Charge0
Complexity1790
SMILES
C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O
InChI
InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1
InChIKey
QLFZZSKTJWDQOS-YDBLARSUSA-N
Chemical Structure
2D Structure
2D structure of Doramectin
CAS: 117704-25-3
CID: 9832750
Formula: C50H74O14
MW: 899.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight899.1
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass898.50785703
Monoisotopic Mass898.50785703
Topological Polar Surface Area170 Ų
Heavy Atom Count64
Formal Charge0
Complexity1790
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
D058-1GDoramectin

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