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Identification
NameAluminium
Accession NumberDB01370
TypeSmall Molecule
GroupsApproved
DescriptionA metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98. [PubChem]
Structure
Thumb
Synonyms
13Al
Al
Aluminio
Aluminium
Aluminum
External Identifiers Not Available
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
AstringentGel.008 mg/4mLTopicalCa Botana International2015-01-01Not applicableUs
Domeboro CoolingGel5 mg/mLTopicalMOBERG PHARMA NORTH AMERICA LLC2016-03-01Not applicableUs
Humco Aluminum Acetate (burrow)Liquid530 mg/mLTopicalHumco Holding Group, Inc.1998-03-25Not applicableUs
Pedi-boro Soak PaksPowder, for solution615 mg/1TopicalPedinol Pharmacal, Inc.2013-01-15Not applicableUs
Tricalm Extra StrengthSolution3 mg/mLTopicalCosmederm Bioscience2015-03-01Not applicableUs
Tricalm HydrogelGel2 mg/mLTopicalCosmederm Bioscience2013-11-01Not applicableUs
Zo Medical Surfatrol AstringentPowder4866 mg/4.866gTopicalZO Skin Health, Inc.2016-08-01Not applicableUs
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixtures
NameLabellerIngredients
Buro-sol Otic SolutionGlaxosmithkline Inc
Oti-solJamp Pharma Corporation
Star-otic SolutionStellar Pharmacal Corp
Salts
Name/CASStructureProperties
Aluminum acetate
139-12-8
Thumb
  • InChI Key: WCOATMADISNSBV-UHFFFAOYSA-K
  • Monoisotopic Mass: 204.021451461
  • Average Mass: 204.1136
DBSALT001466
Categories
UNIICPD4NFA903
CAS number7429-90-5
WeightAverage: 26.9815
Monoisotopic: 26.981538441
Chemical FormulaAl
InChI KeyXAGFODPZIPBFFR-UHFFFAOYSA-N
InChI
InChI=1S/Al
IUPAC Name
alumane
SMILES
[Al]
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionAluminum Acetate is an astringent. An astrignent is a chemical that tends to shrink or constrict body tissues, usually locally after topical medicinal application. The shrinkage or constriction is through osmotic flow of water (or other fluids) away from the area where the astringent was applied. Astringent medicines cause shrinkage of mucous membranes or exposed tissues and are often used internally to check discharge of blood serum or mucous secretions. This can happen with a sore throat, hemorrhages, diarrhea, or with peptic ulcers. Externally applied astringents, which cause mild coagulation of skin proteins, dry, harden, and protect the skin. Acne sufferers are often advised to use astringents if they have oily skin. Astringents also help heal stretch marks and other scars. Mild astringent solutions are used in the relief of such minor skin irritations as those resulting from superficial cuts, allergies, insect bites, or fungal infections such as athlete's foot.
TargetKindPharmacological actionActionsOrganismUniProt ID
SerotransferrinProteinunknownNot AvailableHumanP02787 details
Sodium/potassium-transporting ATPase subunit alpha-1Proteinunknown
binder
HumanP05023 details
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available
References
Synthesis Reference

Bela Czegledi, Mihaly Csovari, Miklos Erdelyi, Lajos Streker, Istvan Toth, Katalin Szabo nee Mogyorosi, Szilard Riederauer, Geza Szentgyorgyi, “Process for producing alumina and ferric oxide from aluminium carriers with high iron and silicon content.” U.S. Patent US4366129, issued 1876.

US4366129
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS Codes
  • 20:12.12
  • 34:00.00
  • 52:28.00
  • 56:04.00
  • 84:04.92
  • 84:12.00
  • 84:92.00
  • 88:29.00*
  • 92:02.00*
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9838
Blood Brain Barrier+0.9733
Caco-2 permeable+0.7354
P-glycoprotein substrateNon-substrate0.881
P-glycoprotein inhibitor INon-inhibitor0.9787
P-glycoprotein inhibitor IINon-inhibitor0.9858
Renal organic cation transporterNon-inhibitor0.9108
CYP450 2C9 substrateNon-substrate0.8305
CYP450 2D6 substrateNon-substrate0.8255
CYP450 3A4 substrateNon-substrate0.8145
CYP450 1A2 substrateNon-inhibitor0.8813
CYP450 2C9 inhibitorNon-inhibitor0.9392
CYP450 2D6 inhibitorNon-inhibitor0.9716
CYP450 2C19 inhibitorNon-inhibitor0.9571
CYP450 3A4 inhibitorNon-inhibitor0.9855
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.882
Ames testNon AMES toxic0.9633
CarcinogenicityCarcinogens 0.664
BiodegradationReady biodegradable0.7326
Rat acute toxicity2.0135 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9547
hERG inhibition (predictor II)Non-inhibitor0.9746
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage forms
FormRouteStrength
GelTopical.008 mg/4mL
SolutionAuricular (otic)
GelTopical5 mg/mL
LiquidTopical530 mg/mL
Powder, for solutionTopical615 mg/1
SolutionTopical3 mg/mL
GelTopical2 mg/mL
PowderTopical4866 mg/4.866g
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental Properties
PropertyValueSource
melting point2.375 g·cm −3Not Available
Predicted Properties
PropertyValueSource
logP1.45ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m3·mol-1ChemAxon
Polarizability1.78 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis compound belongs to the class of inorganic compounds known as homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous post-transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous post-transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous post-transition metal
  • Acyclic compound
Molecular FrameworkAcyclic compounds
External Descriptors

Targets

Kind
Protein
Organism
Human
Pharmacological action
unknown
General Function:
Transferrin receptor binding
Specific Function:
Transferrins are iron binding transport proteins which can bind two Fe(3+) ions in association with the binding of an anion, usually bicarbonate. It is responsible for the transport of iron from sites of absorption and heme degradation to those of storage and utilization. Serum transferrin may also have a further role in stimulating cell proliferation.
Gene Name:
TF
Uniprot ID:
P02787
Molecular Weight:
77063.195 Da
References
  1. Nolte E, Beck E, Winklhofer C, Steinhausen C: Compartmental model for aluminium biokinetics. Hum Exp Toxicol. 2001 Feb;20(2):111-7. [PubMed:11327511 ]
  2. Nagaoka MH, Maitani T: Binding affinity of aluminium to human serum transferrin and effects of carbohydrate chain modification as studied by HPLC/high-resolution ICP-MS--speciation of aluminium in human serum. J Inorg Biochem. 2005 Sep;99(9):1887-94. [PubMed:16139893 ]
  3. Mizutani K, Mikami B, Aibara S, Hirose M: Structure of aluminium-bound ovotransferrin at 2.15 Angstroms resolution. Acta Crystallogr D Biol Crystallogr. 2005 Dec;61(Pt 12):1636-42. Epub 2005 Nov 19. [PubMed:16301797 ]
  4. Beardmore J, Rugg G, Exley C: A systems biology approach to the blood-aluminium problem: the application and testing of a computational model. J Inorg Biochem. 2007 Sep;101(9):1187-91. Epub 2007 Jun 12. [PubMed:17629565 ]
Kind
Protein
Organism
Human
Pharmacological action
unknown
Actions
binder
General Function:
Steroid hormone binding
Specific Function:
This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.
Gene Name:
ATP1A1
Uniprot ID:
P05023
Molecular Weight:
112895.01 Da
References
  1. Menz RI, Walker JE, Leslie AG: Structure of bovine mitochondrial F(1)-ATPase with nucleotide bound to all three catalytic sites: implications for the mechanism of rotary catalysis. Cell. 2001 Aug 10;106(3):331-41. [PubMed:11509182 ]
  2. Silva VS, Goncalves PP: The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50. [PubMed:14507470 ]
  3. Amador FC, Santos MS, Oliveira CR: Lipid peroxidation and aluminium effects on the cholinergic system in nerve terminals. Neurotox Res. 2001 Jul;3(3):223-33. [PubMed:15111247 ]
  4. Kohila T, Parkkonen E, Tahti H: Evaluation of the effects of aluminium, ethanol and their combination on rat brain synaptosomal integral proteins in vitro and after 90-day oral exposure. Arch Toxicol. 2004 May;78(5):276-82. [PubMed:15254985 ]
  5. Kohila T, Tahti H: Effects of aluminium and lead on ATPase activity of knockout +/- mouse cerebral synaptosomes in vitro. Altern Lab Anim. 2004 Oct;32(4):361-7. [PubMed:15651920 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
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Drug created on July 06, 2007 14:27 / Updated on December 08, 2016 11:47