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

Identification

Name
Dihydralazine
Accession Number
DB12945
Type
Small Molecule
Groups
Approved, Experimental
Description

Dihydralazine is under investigation in clinical trial NCT00311974 (The Effect of Dihydralazine on Kidney Function and Hormones in Healthy Individuals).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
PCU411F5L6
CAS number
484-23-1
Weight
Average: 190.21
Monoisotopic: 190.096694346
Chemical Formula
C8H10N6
InChI Key
VQKLRVZQQYVIJW-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)
IUPAC Name
1,4-dihydrazinylidene-1,2,3,4-tetrahydrophthalazine
SMILES
NN=C1NNC(=NN)C2=CC=CC=C12

Pharmacology

Indication
Not Available
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 metabolism of (R)-warfarin can be decreased when combined with Dihydralazine.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid may increase the hypotensive activities of Dihydralazine.
3-isobutyl-1-methyl-7H-xanthineThe serum concentration of 3-isobutyl-1-methyl-7H-xanthine can be increased when it is combined with Dihydralazine.
6-O-benzylguanineThe serum concentration of 6-O-benzylguanine can be increased when it is combined with Dihydralazine.
7-DeazaguanineThe serum concentration of 7-Deazaguanine can be increased when it is combined with Dihydralazine.
7,9-DimethylguanineThe serum concentration of 7,9-Dimethylguanine can be increased when it is combined with Dihydralazine.
8-azaguanineThe serum concentration of 8-azaguanine can be increased when it is combined with Dihydralazine.
8-chlorotheophyllineThe serum concentration of 8-chlorotheophylline can be increased when it is combined with Dihydralazine.
9-DeazaguanineThe serum concentration of 9-Deazaguanine can be increased when it is combined with Dihydralazine.
9-MethylguanineThe serum concentration of 9-Methylguanine can be increased when it is combined with Dihydralazine.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10230
PubChem Substance
347829088
ChemSpider
9813
BindingDB
50088433
ChEBI
134841
ChEMBL
CHEMBL35505
Wikipedia
Dihydralazine
ATC Codes
C02LG01 — Dihydralazine and diureticsC02DB01 — DihydralazineC02LG51 — Dihydralazine and diuretics, combinations with other drugs

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedNot AvailableHealthy Volunteers1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.961 mg/mLALOGPS
logP-0.16ALOGPS
logP-0.21ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)10.38ChemAxon
pKa (Strongest Basic)-1.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area100.82 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity76.93 m3·mol-1ChemAxon
Polarizability19.08 Å3ChemAxon
Number of Rings2ChemAxon
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 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 phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Phthalazines
Alternative Parents
Pyridazines and derivatives / Imidolactams / Benzenoids / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives / Hydrazines and derivatives
Substituents
Phthalazine / Imidolactam / Benzenoid / Pyridazine / Heteroaromatic compound / Azacycle / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organonitrogen compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Substrate
Inhibitor
General Function
Oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
Gene Name
CYP1A2
Uniprot ID
P05177
Uniprot Name
Cytochrome P450 1A2
Molecular Weight
58293.76 Da
References
  1. Masubuchi Y, Horie T: Dihydralazine-induced inactivation of cytochrome P450 enzymes in rat liver microsomes. Drug Metab Dispos. 1998 Apr;26(4):338-42. [PubMed:9531521]
  2. Masubuchi Y, Horie T: Mechanism-based inactivation of cytochrome P450s 1A2 and 3A4 by dihydralazine in human liver microsomes. Chem Res Toxicol. 1999 Oct;12(10):1028-32. [PubMed:10525281]
  3. Belloc C, Gauffre A, Andre C, Beaune PH: Epitope mapping of human CYP1A2 in dihydralazine-induced autoimmune hepatitis. Pharmacogenetics. 1997 Jun;7(3):181-6. [PubMed:9241657]

Drug created on October 20, 2016 19:32 / Updated on November 02, 2018 07:31