Perflubron

Identification

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Name
Perflubron
Accession Number
DB05791  (DB06476)
Type
Small Molecule
Groups
Investigational
Description

Perflubron (Oxygent) is being developed as an intravascular oxygen carrier designed to augment oxygen delivery in surgical patients.

Structure
Thumb
Synonyms
Not Available
International/Other Brands
Oxygent
Categories
UNII
Q1D0Q7R4D9
CAS number
423-55-2
Weight
Average: 498.962
Monoisotopic: 497.891192132
Chemical Formula
C8BrF17
InChI Key
WTWWXOGTJWMJHI-UHFFFAOYSA-N
InChI
InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
IUPAC Name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br

Pharmacology

Indication

Investigated for use/treatment in cardiac surgery, hemorrhage, and ileus.

Pharmacodynamics
Not Available
Mechanism of action

Perflubron emulsion (Oxygent) maintains hemodynamic stability during major surgery, thereby potentially reducing or avoiding intraoperative transfusions of donor blood in major surgery.Perflubron emulsion has ability to enable patients to be physiologically stable and safe at lower intraoperative Hb levels.

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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
  1. Gale SC, Gorman GD, Copeland JG, McDonagh PF: Perflubron emulsion prevents PMN activation and improves myocardial functional recovery after cold ischemia and reperfusion. J Surg Res. 2007 Mar;138(1):135-40. Epub 2006 Dec 14. [PubMed:17173933]
  2. Rosen NA, Hopf HW, Hunt TK: Perflubron emulsion increases subcutaneous tissue oxygen tension in rats. Wound Repair Regen. 2006 Jan-Feb;14(1):55-60. [PubMed:16476072]
External Links
PubChem Compound
9873
PubChem Substance
175427032
ChemSpider
9489
ChEBI
38803
ChEMBL
CHEMBL1200866
Wikipedia
Oxygent
ATC Codes
V08CX01 — Perflubron

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableAsthma Bronchial1

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
Water Solubility0.0314 mg/mLALOGPS
logP4.74ALOGPS
logP6.64ChemAxon
logS-4.2ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity48.52 m3·mol-1ChemAxon
Polarizability21.18 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9968
Blood Brain Barrier+0.9896
Caco-2 permeable+0.6277
P-glycoprotein substrateNon-substrate0.8924
P-glycoprotein inhibitor INon-inhibitor0.9533
P-glycoprotein inhibitor IINon-inhibitor0.9264
Renal organic cation transporterNon-inhibitor0.9207
CYP450 2C9 substrateNon-substrate0.8648
CYP450 2D6 substrateSubstrate0.7099
CYP450 3A4 substrateNon-substrate0.7486
CYP450 1A2 substrateNon-inhibitor0.6432
CYP450 2C9 inhibitorNon-inhibitor0.7876
CYP450 2D6 inhibitorNon-inhibitor0.9515
CYP450 2C19 inhibitorNon-inhibitor0.7867
CYP450 3A4 inhibitorNon-inhibitor0.9553
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8993
Ames testNon AMES toxic0.8692
CarcinogenicityCarcinogens 0.6509
BiodegradationNot ready biodegradable0.9682
Rat acute toxicity1.6745 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9796
hERG inhibition (predictor II)Non-inhibitor0.9093
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
Kingdom
Organic compounds
Super Class
Organohalogen compounds
Class
Organofluorides
Sub Class
Not Available
Direct Parent
Organofluorides
Alternative Parents
Organobromides / Hydrocarbon derivatives / Alkyl fluorides / Alkyl bromides
Substituents
Hydrocarbon derivative / Organofluoride / Organobromide / Alkyl halide / Alkyl fluoride / Alkyl bromide / Aliphatic acyclic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
fluoroalkane (CHEBI:38803)

Drug created on November 18, 2007 11:27 / Updated on June 04, 2019 06:19