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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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 Number	117704-25-3
PubChem CID	9832750
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 Formula	C50H74O14
Molecular Weight	899.1
XLogP	4.5
Topological Polar Surface Area	170
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Heavy Atom Count	64
Formal Charge	0
Complexity	1790

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

CAS: 117704-25-3

CID: 9832750

Formula: C50H74O14

MW: 899.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	899.1
XLogP3	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Exact Mass	898.50785703
Monoisotopic Mass	898.50785703
Topological Polar Surface Area	170 Å²
Heavy Atom Count	64
Formal Charge	0
Complexity	1790
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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