R-306465

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

Identification

Name
R-306465
Accession Number
DB12382
Type
Small Molecule
Groups
Investigational
Description

R306465 has been used in trials studying the treatment of Neoplasms.

Structure
Thumb
Synonyms
Not Available
External IDs
JNJ-16241199 / R306465
Categories
UNII
5WD7KK1IIQ
CAS number
604769-01-9
Weight
Average: 413.45
Monoisotopic: 413.115775286
Chemical Formula
C19H19N5O4S
InChI Key
MUTBJZVSRNUIHA-UHFFFAOYSA-N
InChI
InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
IUPAC Name
N-hydroxy-2-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILES
ONC(=O)C1=CN=C(N=C1)N1CCN(CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1

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
VemurafenibThe risk or severity of QTc prolongation can be increased when Vemurafenib is combined with R-306465.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10309899
PubChem Substance
347828630
ChemSpider
8485365
BindingDB
50304782
ChEMBL
CHEMBL609583

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentNeoplasms1

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 Solubility0.174 mg/mLALOGPS
logP0.82ALOGPS
logP1.36ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)9.23ChemAxon
pKa (Strongest Basic)1.49ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area115.73 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity108.46 m3·mol-1ChemAxon
Polarizability41.38 Å3ChemAxon
Number of Rings4ChemAxon
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 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Naphthalene sulfonic acids and derivatives
Direct Parent
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides / N-arylpiperazines / Pyrimidinecarboxamides / Dialkylarylamines / Aminopyrimidines and derivatives / Organosulfonamides / Sulfonyls / Heteroaromatic compounds / Hydroxamic acids / Azacyclic compounds
show 3 more
Substituents
2-naphthalene sulfonic acid or derivatives / Naphthalene sulfonamide / 2-naphthalene sulfonamide / N-arylpiperazine / Pyrimidinecarboxamide / Pyrimidine-5-carboxylic acid or derivatives / Dialkylarylamine / Aminopyrimidine / 1,4-diazinane / Pyrimidine
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:09 / Updated on December 01, 2017 16:29