NAV

Hypophosphite

Identification

Generic Name
Hypophosphite
DrugBank Accession Number
DB04053
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 62.9726
Monoisotopic: 62.963590756
Chemical Formula
O2P
Synonyms
  • Hypophosphite ion

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UThiosulfate sulfurtransferaseNot AvailableAzotobacter vinelandii
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
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of inorganic compounds known as non-metal hypophosphites. These are inorganic non-metallic compounds containing a hypophosphite as its largest oxoanion.
Kingdom
Inorganic compounds
Super Class
Homogeneous non-metal compounds
Class
Non-metal oxoanionic compounds
Sub Class
Non-metal hypophosphites
Direct Parent
Non-metal hypophosphites
Alternative Parents
Inorganic oxides
Substituents
Inorganic oxide / Non-metal hypophosphite
Molecular Framework
Not Available
External Descriptors
monovalent inorganic anion, phosphorus oxoanion (CHEBI:44951) / an anion (CPD-27)
Affected organisms
Not Available

Chemical Identifiers

UNII
238U65NZ04
CAS number
15460-68-1
InChI Key
GQZXNSPRSGFJLY-UHFFFAOYSA-M
InChI
InChI=1S/HO2P/c1-3-2/h(H,1,2)/p-1
IUPAC Name
oxophosphinite
SMILES
[O-]P=O

References

Synthesis Reference

Wu-Bin Yuo, Gwo-Yang Chang, Jeng-Yue Wu, Mao-Song Lee, "Preparation of nylon 6 with alkali metal hypophosphite catalyst and organic phosphite catalyst." U.S. Patent US5298594, issued June, 1970.

US5298594
General References
Not Available
PubChem Compound
183145
PubChem Substance
46505530
ChemSpider
159256
ChEBI
44951
PDBe Ligand
PO2
Wikipedia
Phosphinate
PDB Entries
1h4k / 1vq4 / 1vq5 / 1vqm / 1vqp / 3hll / 3i55 / 7c0f / 7c0k / 7c0x …
show 1 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP-0.59Chemaxon
pKa (Strongest Acidic)-4.1Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area40.13 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity8.09 m3·mol-1Chemaxon
Polarizability3.24 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.5
Blood Brain Barrier+0.9774
Caco-2 permeable+0.5353
P-glycoprotein substrateNon-substrate0.9185
P-glycoprotein inhibitor INon-inhibitor0.9765
P-glycoprotein inhibitor IINon-inhibitor0.9971
Renal organic cation transporterNon-inhibitor0.9456
CYP450 2C9 substrateNon-substrate0.8146
CYP450 2D6 substrateNon-substrate0.8779
CYP450 3A4 substrateNon-substrate0.774
CYP450 1A2 substrateNon-inhibitor0.838
CYP450 2C9 inhibitorNon-inhibitor0.9001
CYP450 2D6 inhibitorNon-inhibitor0.9283
CYP450 2C19 inhibitorNon-inhibitor0.9165
CYP450 3A4 inhibitorNon-inhibitor0.9807
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9434
Ames testNon AMES toxic0.6339
CarcinogenicityCarcinogens 0.6831
BiodegradationReady biodegradable0.9248
Rat acute toxicity2.3550 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.8138
hERG inhibition (predictor II)Non-inhibitor0.972
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Targets

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Details1. Thiosulfate sulfurtransferase
Kind
Protein
Organism
Azotobacter vinelandii
Pharmacological action
Unknown
General Function
Thiosulfate sulfurtransferase activity
Specific Function
Not Available
Gene Name
rhdA
Uniprot ID
P52197
Uniprot Name
Thiosulfate sulfurtransferase
Molecular Weight
29629.16 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52