NAV

Dersalazine

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

Identification

Generic Name
Dersalazine
DrugBank Accession Number
DB06251
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 600.679
Monoisotopic: 600.248503534
Chemical Formula
C35H32N6O4
Synonyms
  • Dersalazine
External IDs
  • UR-12746
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Pharmacology

Indication

Investigated for use/treatment in inflammatory bowel disease.

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Contraindications & Blackbox Warnings
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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

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.
DrugInteraction
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interactions in your software
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.
AcenocoumarolDersalazine may increase the anticoagulant activities of Acenocoumarol.
AcetaminophenThe risk or severity of adverse effects can be increased when Acetaminophen is combined with Dersalazine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Dersalazine SodiumBAB844203H367249-56-7YLEYSRAGECECMB-UUHDFEAYSA-M

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
WS1IH75AJT
CAS number
188913-58-8
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

References

General References
Not Available
ChemSpider
20158304
ZINC
ZINC000003935787

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentUlcerative Colitis1

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/MSsplash10-0f89-0000098000-3e32c39cdf9dcb3c7a57
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0000090000-8b066b72b777ba0266dc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0kaj-0140494000-ae844075aa7c19481174
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0100090000-9c40d87770cbb47370c2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0924382000-e2567705959857931d6d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05nb-0904270000-5fc48bd1dfd96a0f31ff
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-233.57567
predicted
DeepCCS 1.0 (2019)
[M+H]+235.47108
predicted
DeepCCS 1.0 (2019)
[M+Na]+241.08507
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:19 / Updated at February 21, 2021 18:52