Dersalazine

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

Identification

Name
Dersalazine
Accession Number
DB06251
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
UR-12746
Product Ingredients
IngredientUNIICASInChI Key
Dersalazine SodiumBAB844203H367249-56-7YLEYSRAGECECMB-UUHDFEAYSA-M
Categories
UNII
WS1IH75AJT
CAS number
188913-58-8
Weight
Average: 600.679
Monoisotopic: 600.248503534
Chemical Formula
C35H32N6O4
InChI Key
AYEAMZDTWLXZIJ-RKOUKRECSA-N
InChI
InChI=1S/C35H32N6O4/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45)/b29-20-,39-38+
IUPAC Name
2-hydroxy-5-[(E)-2-{4-[(1Z)-3-[4-({2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}methyl)piperidin-1-yl]-3-oxo-1-phenylprop-1-en-1-yl]phenyl}diazen-1-yl]benzoic acid
SMILES
CC1=NC2=CN=CC=C2N1CC1CCN(CC1)C(=O)\C=C(\C1=CC=CC=C1)C1=CC=C(C=C1)\N=N\C1=CC(C(O)=O)=C(O)C=C1

Pharmacology

Indication

Investigated for use/treatment in inflammatory bowel disease.

Pharmacodynamics
Not Available
Mechanism of action
Not Available
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
(R)-warfarinThe risk or severity of bleeding can be increased when Dersalazine is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Dersalazine is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of renal failure can be increased when Dersalazine is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid.
2,4-thiazolidinedioneDersalazine may increase the hypoglycemic activities of 2,4-thiazolidinedione.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Dersalazine is combined with 4-hydroxycoumarin.
AbciximabThe risk or severity of bleeding can be increased when Dersalazine is combined with Abciximab.
AcarboseDersalazine may increase the hypoglycemic activities of Acarbose.
AceclofenacThe therapeutic efficacy of Dersalazine can be decreased when used in combination with Aceclofenac.
AcenocoumarolThe risk or severity of bleeding can be increased when Dersalazine is combined with Acenocoumarol.
AcetazolamideThe risk or severity of adverse effects can be increased when Dersalazine is combined with Acetazolamide.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
20158304

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentUlcerative Colitis (UC)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 Solubility0.00415 mg/mLALOGPS
logP6.2ALOGPS
logP5.14ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)3.23ChemAxon
pKa (Strongest Basic)5.56ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area133.27 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity184.21 m3·mol-1ChemAxon
Polarizability65.09 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

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

Classification
Not classified

Drug created on March 19, 2008 10:19 / Updated on November 02, 2018 09:01