NAV

RRx-001

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

Identification

Generic Name
RRx-001
DrugBank Accession Number
DB12060
Background

RRx-001 has been used in trials studying the treatment of Lymphomas, Brain Metastases, Cholangiocarcinoma, Colorectal Neoplasms, and Malignant Solid Tumor, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 268.023
Monoisotopic: 266.949083
Chemical Formula
C5H6BrN3O5
Synonyms
  • N-(Bromoacetyl)-3,3-Dinitroazetidine

Pharmacology

Indication

Not Available

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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acid derivatives
Direct Parent
Tertiary carboxylic acid amides
Alternative Parents
C-nitro compounds / Azetidines / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Azacyclic compounds / Organonitrogen compounds / Organobromides / Organic salts / Organic oxides / Hydrocarbon derivatives
show 3 more
Substituents
Aliphatic heteromonocyclic compound / Alkyl bromide / Alkyl halide / Allyl-type 1,3-dipolar organic compound / Azacycle / Azetidine / C-nitro compound / Carbonyl group / Hydrocarbon derivative / Organic 1,3-dipolar compound
show 14 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7RPW6SU9SC
CAS number
925206-65-1
InChI Key
JODKFOVZURLVTG-UHFFFAOYSA-N
InChI
InChI=1S/C5H6BrN3O5/c6-1-4(10)7-2-5(3-7,8(11)12)9(13)14/h1-3H2
IUPAC Name
2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one
SMILES
[O-][N+](=O)C1(CN(C1)C(=O)CBr)[N+]([O-])=O

References

General References
Not Available
PubChem Compound
15950826
PubChem Substance
347828369
ChemSpider
13092644
ChEMBL
CHEMBL3526802
ZINC
ZINC000034805177

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentSmall Cell Lung Cancer (SCLC)1
3TerminatedTreatmentSmall Cell Lung Cancer (SCLC)1
2CompletedSupportive CareOral Mucositis1
2CompletedTreatmentColorectal Neoplasms1
2CompletedTreatmentEpithelial Ovarian Cancer / Neuroendocrine Tumors / Non-Small Cell Lung Carcinoma / Small Cell Carcinoma1
2TerminatedTreatmentCholangiocarcinoma1
1CompletedTreatmentAnaplastic Oligodendroglioma (AO) / High Grade Glioma: Glioblastoma (GBM) / Oligodendroglioma1
1CompletedTreatmentBrain Metastases1
1CompletedTreatmentLymphoma / Malignant Solid Neoplasms2
1RecruitingTreatmentCentral Nervous System Neoplasm / Pediatric Brain Tumor / Recurrent Brain Tumors / Unspecified Childhood Solid Tumor, Protocol Specific1

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 Solubility0.473 mg/mLALOGPS
logP0.92ALOGPS
logP0.24Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)-5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area106.59 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity44.1 m3·mol-1Chemaxon
Polarizability18.33 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 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

Drug created at October 20, 2016 21:17 / Updated at December 01, 2022 11:27