NAV

Siagoside

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Siagoside
DrugBank Accession Number
DB12351
Background

Siagoside (Sygen, AGF 2) has been investigated for the treatment of Parkinson Disease. It is a naturally occurring substance in the nerve cell’s membrane that is thought to play a role in cell growth, development, and repair. Siagoside completed phase 2 trials for parkinson's disease (PD) treatment. Sygen appears to be beneficial in patients with severe spinal cord injury. Treatment results in a 52% decrease in mortality 48 hours after the induction of ischemia in gerbils by permanent unilateral ligation of the common carotid artery.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1528.826
Monoisotopic: 1527.866089766
Chemical Formula
C73H129N3O30
Synonyms
  • Ganglioside GM1 lactone
  • Siagoside
  • Siagosido
  • Siagosidum
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
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Not Available

Interactions

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Not Available
Food Interactions
Not Available

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International/Other Brands
Sygen

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
6QFJ0908R2
CAS number
100345-64-0
InChI Key
WVHBJHLTCHODOA-MYYVOHNDSA-N
InChI
InChI=1S/C73H129N3O30/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-96-69-61(94)59(92)62(50(39-80)99-69)101-71-67-66(106-73(72(95)104-67)35-46(85)53(74-42(3)82)65(105-73)55(88)47(86)36-77)63(51(40-81)100-71)102-68-54(75-43(4)83)64(57(90)49(38-79)97-68)103-70-60(93)58(91)56(89)48(37-78)98-70/h31,33,44-51,53-71,77-81,84-86,88-94H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68-,69+,70-,71-,73-/m0/s1
IUPAC Name
N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-5-[(2S,4S,4'aR,5R,5'S,6R,7'R,8'S,8'aS)-5-acetamido-8'-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-7'-(hydroxymethyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-hexahydrospiro[oxane-2,2'-pyrano[3,4-b][1,4]dioxin]-3'-oneoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide
SMILES
[H][C@]1(O[C@@]2(C[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]3CO)[C@@H]1OC2=O)[C@H](O)[C@H](O)CO

References

General References
Not Available
PubChem Substance
347911323
ChemSpider
34986533
ChEBI
141641
ChEMBL
CHEMBL3989560

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentParkinson's Disease (PD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.167 mg/mLALOGPS
logP2.65ALOGPS
logP2.65Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)11.6Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count29Chemaxon
Hydrogen Donor Count18Chemaxon
Polar Surface Area509.35 Å2Chemaxon
Rotatable Bond Count49Chemaxon
Refractivity372.51 m3·mol-1Chemaxon
Polarizability168.86 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000y-4132290000-7c251dcdca781be4f924
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002r-9000030000-996df730c4fa28cb09fa
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-3050890000-c0c6ac922e1a11681d0d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-02vj-1114390020-004da66fea58aea65eee
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-3053694010-b708c7a4f8dd113f9428
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03gl-5750390000-a6fc83bf952a896d68da
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 20, 2016 22:03 / Updated at May 14, 2021 01:06