Pyrophosphoric acid

Identification

Summary

Pyrophosphoric acid is an ingredient of a radiopharmaceutical used to visualize bone abnormalities and cardiovascular abnormalities and also used as an ingredient in some products to prevent iron deficiency anemia.

Generic Name
Pyrophosphoric acid
DrugBank Accession Number
DB04160
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
Thumb
Weight
Average: 177.9751
Monoisotopic: 177.943225506
Chemical Formula
H4O7P2
Synonyms
  • acide diphosphorique
  • Diphosphoric acid
  • Diphosphorsäure
  • Pyrophosphorsäure

Pharmacology

Indication

Not Available

Pharmacology
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Associated Conditions
Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UFarnesyl diphosphate synthase
modulator
Escherichia coli (strain K12)
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
Adverseeffects
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Toxicity

Not Available

Pathways
PathwayCategory
Carbamoyl Phosphate Synthetase DeficiencyDisease
Argininosuccinic AciduriaDisease
Glycine and Serine MetabolismMetabolic
Ammonia RecyclingMetabolic
Inositol MetabolismMetabolic
Propanoate MetabolismMetabolic
Arginine and Proline MetabolismMetabolic
Selenoamino Acid MetabolismMetabolic
Galactose MetabolismMetabolic
Histidine MetabolismMetabolic
Pyrimidine MetabolismMetabolic
Purine MetabolismMetabolic
Fatty Acid MetabolismMetabolic
Starch and Sucrose MetabolismMetabolic
Pyruvate MetabolismMetabolic
Glutamate MetabolismMetabolic
Butyrate MetabolismMetabolic
Simvastatin Action PathwayDrug action
Pravastatin Action PathwayDrug action
Rosuvastatin Action PathwayDrug action
Zoledronate Action PathwayDrug action
Pamidronate Action PathwayDrug action
Fluvastatin Action PathwayDrug action
Betaine MetabolismMetabolic
Biotinidase DeficiencyDisease
Cystathionine beta-Synthase DeficiencyDisease
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency)Disease
HistidinemiaDisease
Leigh SyndromeDisease
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)Disease
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Aluminum hydroxideAluminum hydroxide can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium acetateCalcium acetate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium carbonateCalcium carbonate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium chlorideCalcium chloride can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium citrateCalcium citrate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium glucoheptonateCalcium glucoheptonate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium gluconateCalcium gluconate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium lactateCalcium lactate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium PhosphateCalcium Phosphate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Calcium polycarbophilCalcium polycarbophil can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy.
Interactions
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Food Interactions
No interactions found.

Products

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Product Ingredients
IngredientUNIICASInChI Key
Sodium pyrophosphateO352864B8Z7722-88-5FQENQNTWSFEDLI-UHFFFAOYSA-J
Sodium pyrophosphate decahydrateIY3DKB96QW13472-36-1VZWGHDYJGOMEKT-UHFFFAOYSA-J
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
PyrophosphateInjection, powder, lyophilized, for solution27.6 mg/1IntravenousAnazao Health Corporation2012-05-23Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Dr. DADDYS Kids ToothSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (13 g/100g) + Sodium fluorophosphate (0.36 g/100g)Paste, dentifriceDentalTB Healthcare Co., Ltd.2021-01-01Not applicableUS flag
Dr. DADDYS Kids Toothpaste(Raspberry flavor)Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + Sodium fluorophosphate (0.36 g/100g)Paste, dentifriceDentalTB Healthcare Co., Ltd.2021-09-20Not applicableUS flag
Dr. DADDYS ToothSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g)Paste, dentifriceDentalTB Healthcare Co., Ltd.2020-12-01Not applicableUS flag
Mastikids IISodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalMastic Korea.Co.Ltd2020-09-14Not applicableUS flag
Mastikis Gold IISodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g)Paste, dentifriceDentalMastic Korea.Co.Ltd2020-08-13Not applicableUS flag
Mastikis Qingjie Shine MasticSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalMastic Korea.Co.Ltd2020-09-14Not applicableUS flag
Mastikis Qingxin Care MasticSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalMastic Korea.Co.Ltd2020-09-21Not applicableUS flag
Mimibo Premium ToothSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalCONE MEDICAL Co., Ltd.2021-04-01Not applicableUS flag
Mimibo Premium ToothSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalCONE MEDICAL Co., Ltd.2021-04-01Not applicableUS flag
Nlihome Dental CareSodium pyrophosphate (1 g/200g) + D-alpha-Tocopherol acetate (0.18 g/200g) + Silicic acid (30 g/200g)Paste, dentifriceOralKumho Dental Pharm. Co., Ltd.2016-01-022018-10-01US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Dr. DADDYS Kids ToothSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (13 g/100g) + Sodium fluorophosphate (0.36 g/100g)Paste, dentifriceDentalTB Healthcare Co., Ltd.2021-01-01Not applicableUS flag
Dr. DADDYS Kids Toothpaste(Raspberry flavor)Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + Sodium fluorophosphate (0.36 g/100g)Paste, dentifriceDentalTB Healthcare Co., Ltd.2021-09-20Not applicableUS flag
Dr. DADDYS ToothSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g)Paste, dentifriceDentalTB Healthcare Co., Ltd.2020-12-01Not applicableUS flag
Mastikids IISodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalMastic Korea.Co.Ltd2020-09-14Not applicableUS flag
Mastikis Gold IISodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g)Paste, dentifriceDentalMastic Korea.Co.Ltd2020-08-13Not applicableUS flag
Mastikis Qingjie Shine MasticSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalMastic Korea.Co.Ltd2020-09-14Not applicableUS flag
Mastikis Qingxin Care MasticSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalMastic Korea.Co.Ltd2020-09-21Not applicableUS flag
Mimibo Premium ToothSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalCONE MEDICAL Co., Ltd.2021-04-01Not applicableUS flag
Mimibo Premium ToothSodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g)Paste, dentifriceDentalCONE MEDICAL Co., Ltd.2021-04-01Not applicableUS flag
Nlihome Dental CareSodium pyrophosphate (1 g/200g) + D-alpha-Tocopherol acetate (0.18 g/200g) + Silicic acid (30 g/200g)Paste, dentifriceOralKumho Dental Pharm. Co., Ltd.2016-01-022018-10-01US flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of inorganic compounds known as non-metal pyrophosphates. These are inorganic non-metallic compounds containing a pyrophosphate as its largest oxoanion.
Kingdom
Inorganic compounds
Super Class
Homogeneous non-metal compounds
Class
Non-metal oxoanionic compounds
Sub Class
Non-metal pyrophosphates
Direct Parent
Non-metal pyrophosphates
Alternative Parents
Inorganic oxides
Substituents
Inorganic oxide / Non-metal pyrophosphate
Molecular Framework
Not Available
External Descriptors
phosphorus oxoacid, acyclic phosphorus acid anhydride (CHEBI:29888)
Affected organisms
Not Available

Chemical Identifiers

UNII
4E862E7GRQ
CAS number
2466-09-3
InChI Key
XPPKVPWEQAFLFU-UHFFFAOYSA-N
InChI
InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
IUPAC Name
(phosphonooxy)phosphonic acid
SMILES
OP(O)(=O)OP(O)(O)=O

References

Synthesis Reference

Kiyoshi Nakayama, Hiroshi Hagino, "Method for preparing cytidine diphosphate choline." U.S. Patent USRE0288861, issued August 15, 1972.

USRE0288861
General References
Not Available
Human Metabolome Database
HMDB0000250
KEGG Compound
C00013
PubChem Compound
1023
PubChem Substance
46507760
ChemSpider
996
BindingDB
50147591
RxNav
1546425
ChEBI
29888
ChEMBL
CHEMBL1160571
ZINC
ZINC000006827695
PDBe Ligand
PPV
Wikipedia
Pyrophosphoric_acid
PDB Entries
1xsp / 2bcq / 2bcr / 2bcs / 2bcu / 2e90 / 2e9t / 2e9z / 2ec0 / 2o1c
show 115 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableCompletedTreatmentTooth Bleaching1
Not AvailableRecruitingNot AvailableAmyloid Cardiomyopathy, Transthyretin-Related1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Paste, dentifriceDental
Paste, dentifriceOral
PasteDental
Injection, powder, lyophilized, for solutionIntravenous
Injection, powder, lyophilized, for solutionIntravenous27.6 mg/1
Injection, powder, for solutionIntravenous
Injection, powder, for solutionIntravenous20 mg/Vial
TabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)61 °CPhysProp
Predicted Properties
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)1.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area124.29 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity25.52 m3·mol-1ChemAxon
Polarizability10.28 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.7458
Blood Brain Barrier+0.9868
Caco-2 permeable-0.6915
P-glycoprotein substrateNon-substrate0.8723
P-glycoprotein inhibitor INon-inhibitor0.9435
P-glycoprotein inhibitor IINon-inhibitor0.9596
Renal organic cation transporterNon-inhibitor0.9497
CYP450 2C9 substrateNon-substrate0.8692
CYP450 2D6 substrateNon-substrate0.8528
CYP450 3A4 substrateNon-substrate0.7126
CYP450 1A2 substrateNon-inhibitor0.8947
CYP450 2C9 inhibitorNon-inhibitor0.8759
CYP450 2D6 inhibitorNon-inhibitor0.9335
CYP450 2C19 inhibitorNon-inhibitor0.8574
CYP450 3A4 inhibitorNon-inhibitor0.9413
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9653
Ames testNon AMES toxic0.828
CarcinogenicityCarcinogens 0.6317
BiodegradationReady biodegradable0.835
Rat acute toxicity2.9431 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.8422
hERG inhibition (predictor II)Non-inhibitor0.973
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0002-0972000000-a80f120dd426991d6eff
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0udi-0741900000-9c5b3c334561dd282116
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-03di-0920000000-a5ad76aa129d898d71f8
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-03di-0910000000-531d3e19493dc29d6e5c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004j-4900000000-fab623ebd43ab1452b9f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9400000000-b2565f0d436385569cff
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000t-9300000000-ac978f84efc222da7b43
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0900000000-21c64963e1ff18b360e1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9700000000-54e41043f009fe6db86c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-2a5f69c16aa671275a62

Targets

Drugtargets2
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Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
Actions
Modulator
General Function
Metal ion binding
Specific Function
Not Available
Gene Name
ispA
Uniprot ID
P22939
Uniprot Name
Farnesyl diphosphate synthase
Molecular Weight
32159.22 Da
References
  1. Sun S, McKenna CE: Farnesyl pyrophosphate synthase modulators: a patent review (2006 - 2010). Expert Opin Ther Pat. 2011 Sep;21(9):1433-51. doi: 10.1517/13543776.2011.593511. Epub 2011 Jun 25. [Article]

Drug created on June 13, 2005 13:24 / Updated on October 16, 2021 11:00