Nimustine

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

Identification

Name
Nimustine
Accession Number
DB13069
Type
Small Molecule
Groups
Investigational
Description

Nimustine has been used in trials studying the treatment of Glioblastoma.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
0S726V972K
CAS number
42471-28-3
Weight
Average: 272.69
Monoisotopic: 272.0788514
Chemical Formula
C9H13ClN6O2
InChI Key
VFEDRRNHLBGPNN-UHFFFAOYSA-N
InChI
InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)
IUPAC Name
2-chloro-N-{[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-C-hydroxycarbonimidoyl}-N-nitrosoethan-1-amine
SMILES
CC1=NC=C(CN=C(O)N(CCCl)N=O)C(=N)N1

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Nimustine.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Nimustine.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Nimustine.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Nimustine.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Nimustine.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Nimustine.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Nimustine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Nimustine.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Nimustine.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Nimustine.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Nimustine.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Nimustine.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Nimustine.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Nimustine.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Nimustine.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Nimustine.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Nimustine.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Nimustine.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Nimustine.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
39214
PubChem Substance
347829197
ChemSpider
35876
ChEBI
75271
ChEMBL
CHEMBL136737
ATC Codes
L01AD06 — Nimustine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentGlioblastomas1

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 Solubility0.093 mg/mLALOGPS
logP0.63ALOGPS
logP0.21ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)4.25ChemAxon
pKa (Strongest Basic)2.75ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area113.5 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity77.85 m3·mol-1ChemAxon
Polarizability26.1 Å3ChemAxon
Number of Rings1ChemAxon
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 hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Hydropyrimidines
Alternative Parents
Imidolactams / Heteroaromatic compounds / Organic N-nitroso compounds / Propargyl-type 1,3-dipolar organic compounds / Carboximidic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organochlorides / Organic oxides
show 2 more
Substituents
Hydropyrimidine / Imidolactam / Heteroaromatic compound / Organic n-nitroso compound / Organic nitroso compound / Carboximidic acid derivative / Propargyl-type 1,3-dipolar organic compound / Organic 1,3-dipolar compound / Azacycle / Alkyl chloride
show 11 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
organic cation (CHEBI:75271)

Drug created on October 20, 2016 20:37 / Updated on November 09, 2017 05:17