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
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
  • 8,8'-diapo-8,8'-carotenedioic acid
  • 8,8'-diapo-ψ,ψ-carotenedioic acid
  • 8,8'-diapocarotenedioic acid
  • Crocetin
  • trans-crocetin
Product Ingredients
IngredientUNIICASInChI Key
Transcrocetinate sodiumYP57637WMX591230-99-8RMDMBHQVNHQDDD-VFWKRBOSSA-L
Categories
UNII
20TC155L9C
CAS number
27876-94-4
Weight
Average: 328.408
Monoisotopic: 328.167459253
Chemical Formula
C20H24O4
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

Pharmacology

Indication

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

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

Interactions

Drug Interactions
DrugInteraction
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Transcrocetinate.
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Transcrocetinate.
AncestimThe risk or severity of cytotoxicity can be increased when Ancestim is combined with Transcrocetinate.
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Transcrocetinate.
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Transcrocetinate.
CymarinCymarin may decrease the cardiotoxic activities of Transcrocetinate.
DeslanosideDeslanoside may decrease the cardiotoxic activities of Transcrocetinate.
DigitoxinDigitoxin may decrease the cardiotoxic activities of Transcrocetinate.
DigoxinDigoxin may decrease the cardiotoxic activities of Transcrocetinate.
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Transcrocetinate.
Food Interactions
Not Available

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]
External Links
KEGG Compound
C08588
ChemSpider
4444644
BindingDB
50269617
ChEBI
3918
ChEMBL
CHEMBL464792
Wikipedia
Crocetin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedBasic ScienceHigh Grade Glioma (HGG)1
1, 2Active Not RecruitingTreatmentGBM / Glioblastomas / Gliomas / High Grade Glioma (HGG)1
1, 2CompletedTreatmentIntermittent Claudication1
4CompletedPreventionCatheter Related Infections1

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

Taxonomy

Classification
Not classified

Drug created on November 18, 2007 11:29 / Updated on August 02, 2018 05:33