NAV

Transcrocetinate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Transcrocetinate
Accession Number
DB05974
Description

Vitamin A-analog that increases diffusivity of oxygen in aqueous solutions, including plasma.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
3D
Similar Structures
Weight
Average: 328.408
Monoisotopic: 328.167459253
Chemical Formula
C20H24O4
Synonyms
  • 8,8'-diapo-8,8'-carotenedioic acid
  • 8,8'-diapo-ψ,ψ-carotenedioic acid
  • 8,8'-diapocarotenedioic acid
  • Crocetin
  • trans-crocetin

Pharmacology

Indication

Investigated for use/treatment in cancer/tumors (unspecified), hemorrhage, hypoxia, respiratory failure, and strokes.

Contraindications & Blackbox Warnings
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Pharmacodynamics
Not Available
Mechanism of action

Trans sodium crocetinate is a novel drug, which has been shown to increase whole-body oxygen consumption during hemorrhagic shock. It works by increasing the diffusion rate of oxygen through plasma rather than on a specific symptom of hemorrhagic shock and has been suggested as a general treatment for hypoxemia. Thus it could also be beneficial for treating respiratory insufficiencies.

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
Affected organisms
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.
DrugInteraction
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Darbepoetin alfaThe risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Transcrocetinate.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined with Transcrocetinate.
Methoxy polyethylene glycol-epoetin betaThe risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with Transcrocetinate.
PeginesatideThe risk or severity of Thrombosis can be increased when Peginesatide is combined with Transcrocetinate.
Additional Data Available
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Food Interactions
Not Available

Products

Product Ingredients
IngredientUNIICASInChI Key
Transcrocetinate sodiumYP57637WMX591230-99-8RMDMBHQVNHQDDD-VFWKRBOSSA-L

Categories

Drug Categories
Classification
Not classified

Chemical Identifiers

UNII
20TC155L9C
CAS number
27876-94-4
InChI Key
PANKHBYNKQNAHN-MQQNZMFNSA-N
InChI
InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
IUPAC Name
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
SMILES
C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O

References

General References
  1. Giassi LJ, Poynter AK, Gainer JL: Trans sodium crocetinate for hemorrhagic shock: effect of time delay in initiating therapy. Shock. 2002 Dec;18(6):585-8. [PubMed:12462570]
  2. Gainer JL, Stennett AK, Murray RJ: The effect of trans sodium crocetinate (TSC) in a rat oleic acid model of acute lung injury. Pulm Pharmacol Ther. 2005;18(3):213-6. Epub 2005 Jan 22. [PubMed:15707856]
KEGG Compound
C08588
ChemSpider
4444644
BindingDB
50269617
ChEBI
3918
ChEMBL
CHEMBL464792
ZINC
ZINC000004097701
Wikipedia
Crocetin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentGlioblastomas1
2TerminatedTreatmentStroke, Acute1
1TerminatedBasic ScienceHigh Grade Glioma (HGG)1
1, 2CompletedTreatmentGBM / Glioblastomas / Gliomas1
1, 2CompletedTreatmentIntermittent Claudication1
1, 2RecruitingTreatmentCoronavirus Disease 2019 (COVID‑19) / SARS-CoV-2 (Covid19)1

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 Solubility0.00558 mg/mLALOGPS
logP4.54ALOGPS
logP4.4ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)4.41ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.6 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity103.8 m3·mol-1ChemAxon
Polarizability38.07 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Drug created on November 18, 2007 11:29 / Updated on June 12, 2020 10:52

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