Pyrophosphoric acid
Identification
- Name
- Pyrophosphoric acid
- Accession Number
- DB04160
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Approved, Experimental
- Structure
Structure for Pyrophosphoric acid (DB04160)
- Weight
- Average: 177.9751
Monoisotopic: 177.943225506 - Chemical Formula
- H4O7P2
- Synonyms
- acide diphosphorique
- Diphosphoric acid
- Diphosphorsäure
- Pyrophosphorsäure
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Associated Conditions
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UFarnesyl diphosphate synthase modulatorEscherichia 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAluminum hydroxide Aluminum hydroxide can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium acetate Calcium acetate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium carbonate Calcium carbonate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium chloride Calcium chloride can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium citrate Calcium citrate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium glucoheptonate Calcium glucoheptonate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium gluconate Calcium gluconate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium lactate Calcium lactate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium Phosphate Calcium Phosphate can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. Calcium polycarbophil Calcium polycarbophil can cause a decrease in the absorption of Pyrophosphoric acid resulting in a reduced serum concentration and potentially a decrease in efficacy. 
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- No interactions found.
Products
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- Product Ingredients
Ingredient UNII CAS InChI Key Sodium pyrophosphate O352864B8Z 7722-88-5 FQENQNTWSFEDLI-UHFFFAOYSA-J Sodium pyrophosphate decahydrate IY3DKB96QW 13472-36-1 VZWGHDYJGOMEKT-UHFFFAOYSA-J - Brand Name Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Pyrophosphate Injection, powder, lyophilized, for solution 27.6 mg/1 Intravenous Anazao Health Corporation 2012-05-23 Not applicable US 
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Dr. DADDYS Tooth Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) Paste, dentifrice Dental TB Healthcare Co., Ltd. 2020-12-01 Not applicable US Mastikids II Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste, dentifrice Dental Mastic Korea.Co.Ltd 2020-09-14 Not applicable US Mastikis Gold II Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) Paste, dentifrice Dental Mastic Korea.Co.Ltd 2020-08-13 Not applicable US Mastikis Qingjie Shine Mastic Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste, dentifrice Dental Mastic Korea.Co.Ltd 2020-09-14 Not applicable US Mastikis Qingxin Care Mastic Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste, dentifrice Dental Mastic Korea.Co.Ltd 2020-09-21 Not applicable US Nlihome Dental Care Sodium pyrophosphate (1 g/200g) + D-alpha-Tocopherol acetate (0.18 g/200g) + Silicic acid (30 g/200g) Paste, dentifrice Oral Kumho Dental Pharm. Co., Ltd. 2016-01-02 2018-10-01 US Onetooth Clinic Tooth Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste Dental CONE MEDICAL Co., Ltd. 2021-03-01 Not applicable US Onetoothclinic Tooth Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste Dental Sungwon Pharmaceutical Co., Ltd. 2019-11-14 2019-12-19 US Onetoothclinic Tooth Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste Dental CONE MEDICAL Co., Ltd. 2019-11-14 Not applicable US Phosphotec Sodium pyrophosphate (40 mg/1) + Stannous fluoride (0.4 mg/1) Injection, powder, lyophilized, for solution Intravenous Bracco Diagnostics, Inc 1976-10-20 2007-09-30 US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Dr. DADDYS Tooth Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) Paste, dentifrice Dental TB Healthcare Co., Ltd. 2020-12-01 Not applicable US Mastikids II Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste, dentifrice Dental Mastic Korea.Co.Ltd 2020-09-14 Not applicable US Mastikis Gold II Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) Paste, dentifrice Dental Mastic Korea.Co.Ltd 2020-08-13 Not applicable US Mastikis Qingjie Shine Mastic Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste, dentifrice Dental Mastic Korea.Co.Ltd 2020-09-14 Not applicable US Mastikis Qingxin Care Mastic Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste, dentifrice Dental Mastic Korea.Co.Ltd 2020-09-21 Not applicable US Nlihome Dental Care Sodium pyrophosphate (1 g/200g) + D-alpha-Tocopherol acetate (0.18 g/200g) + Silicic acid (30 g/200g) Paste, dentifrice Oral Kumho Dental Pharm. Co., Ltd. 2016-01-02 2018-10-01 US Onetooth Clinic Tooth Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste Dental CONE MEDICAL Co., Ltd. 2021-03-01 Not applicable US Onetoothclinic Tooth Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste Dental Sungwon Pharmaceutical Co., Ltd. 2019-11-14 2019-12-19 US Onetoothclinic Tooth Sodium pyrophosphate (0.5 g/100g) + Silicon dioxide (14 g/100g) + alpha-Tocopherol acetate (0.1 g/100g) Paste Dental CONE MEDICAL Co., Ltd. 2019-11-14 Not applicable US Pyrophosphate Sodium pyrophosphate (27.6 mg/1) Injection, powder, lyophilized, for solution Intravenous Anazao Health Corporation 2012-05-23 Not applicable US
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)
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
- External Links
- Human Metabolome Database
- HMDB0000250
- KEGG Compound
- C00013
- PubChem Compound
- 1023
- PubChem Substance
- 46507760
- ChemSpider
- 996
- BindingDB
- 50147591
- 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 111 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count Not Available Completed Treatment Tooth Bleaching 1 Not Available Recruiting Not Available Amyloid Cardiomyopathy, Transthyretin-Related 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Paste, dentifrice Dental Paste, dentifrice Oral Paste Dental Injection, powder, lyophilized, for solution Intravenous Injection, powder, lyophilized, for solution Intravenous 27.6 mg/1 Injection, powder, for solution Intravenous Tablet Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 61 °C PhysProp - Predicted Properties
Property Value Source logP -1.4 ChemAxon pKa (Strongest Acidic) 1.7 ChemAxon Physiological Charge -3 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 4 ChemAxon Polar Surface Area 124.29 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 25.52 m3·mol-1 ChemAxon Polarizability 10.28 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.7458 Blood Brain Barrier + 0.9868 Caco-2 permeable - 0.6915 P-glycoprotein substrate Non-substrate 0.8723 P-glycoprotein inhibitor I Non-inhibitor 0.9435 P-glycoprotein inhibitor II Non-inhibitor 0.9596 Renal organic cation transporter Non-inhibitor 0.9497 CYP450 2C9 substrate Non-substrate 0.8692 CYP450 2D6 substrate Non-substrate 0.8528 CYP450 3A4 substrate Non-substrate 0.7126 CYP450 1A2 substrate Non-inhibitor 0.8947 CYP450 2C9 inhibitor Non-inhibitor 0.8759 CYP450 2D6 inhibitor Non-inhibitor 0.9335 CYP450 2C19 inhibitor Non-inhibitor 0.8574 CYP450 3A4 inhibitor Non-inhibitor 0.9413 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9653 Ames test Non AMES toxic 0.828 Carcinogenicity Carcinogens 0.6317 Biodegradation Ready biodegradable 0.835 Rat acute toxicity 2.9431 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8422 hERG inhibition (predictor II) Non-inhibitor 0.973
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
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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
- 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. [PubMed:21702715]
Enzymes
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Yes
- Actions
- Product of
- General Function
- Nad+ synthase activity
- Specific Function
- Catalyzes a key step in NAD biosynthesis, transforming deamido-NAD into NAD by a two-step reaction.
- Gene Name
- nadE
- Uniprot ID
- P18843
- Uniprot Name
- NH(3)-dependent NAD(+) synthetase
- Molecular Weight
- 30636.56 Da
Drug created on June 13, 2005 13:24 / Updated on April 20, 2021 23:20