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

Identification

Generic Name
RG-4733
DrugBank Accession Number
DB11870
Background

Ro4929097 has been used in trials studying the treatment of Sarcoma, LYMPHOMA, Neoplasms, Wilm's Tumor, and OSTEOSARCOMA, among others.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 469.412
Monoisotopic: 469.142482331
Chemical Formula
C22H20F5N3O3
Synonyms
Not Available
External IDs
  • RO 4929097
  • RO-4929097

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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 dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzazepines
Sub Class
Dibenzazepines
Direct Parent
Dibenzazepines
Alternative Parents
N-acyl-alpha amino acids and derivatives / Azepines / Benzenoids / Secondary carboxylic acid amides / Lactams / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organofluorides / Organic oxides
show 3 more
Substituents
Alkyl fluoride / Alkyl halide / Alpha-amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azepine / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
organofluorine compound, dicarboxylic acid diamide, lactam, dibenzoazepine (CHEBI:86474)
Affected organisms
Not Available

Chemical Identifiers

UNII
KK8645V7LE
CAS number
847925-91-1
InChI Key
OJPLJFIFUQPSJR-INIZCTEOSA-N
InChI
InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
IUPAC Name
2,2-dimethyl-N'-[(10S)-9-oxo-8-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2,4,6,11,13-hexaen-10-yl]-N-(2,2,3,3,3-pentafluoropropyl)propanediamide
SMILES
CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1C2=CC=CC=C2C2=CC=CC=C2NC1=O

References

General References
Not Available
PubChem Compound
49867930
PubChem Substance
347828207
ChemSpider
25027400
ChEBI
86474
ZINC
ZINC000043208642
Wikipedia
RO4929097

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAdenocarcinomas of the Pancreas / Recurrent Pancreatic Cancer / Stage IV Pancreatic Cancer1
2CompletedTreatmentAdvanced Ovarian Cancer / Recurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma / Stage IV Fallopian Tube Cancer / Stage IV Primary Peritoneal Cancer1
2CompletedTreatmentClear Cell Renal Cell Carcinoma (ccRCC) / Renal Cell Carcinoma Recurrent / Stage IV Renal Cell Cancer1
2CompletedTreatmentMetastatic Colon Cancer / Recurrent Colon Cancer / Recurrent Rectal Cancer / Stage IV Rectal Cancer1
2CompletedTreatmentNon-squamous Non-small-cell Lung Cancer (NSQ NSCLC)1
2TerminatedTreatmentAcral Lentiginous Malignant Melanoma / Lentigo Maligna Malignant Melanoma / Melanoma Stage Iv / Nodular Malignant Melanoma / Recurrent Melanoma / Solar Radiation-related Skin Melanoma / Superficial Spreading Malignant Melanoma1
2TerminatedTreatmentAdenocarcinoma of the Prostate / Prostate Cancer - Recurrent / Stage IV Prostate Cancer1
2TerminatedTreatmentAdult Giant Cell Glioblastoma / Glioblastoma, Adult / Gliosarcoma, Adult / Recurrent Brain Tumor, Adult1
2TerminatedTreatmentAdvanced Non Small Cell Lung Cancer (NSCLC) / Non-small Cell Lung Cancer (NSCLC), Recurrent / Stage IIIB Non Small Cell Lung Cancer1
2TerminatedTreatmentBreast Cancer Stage IIIc / Breast Cancer, Stage IIIB / Carcinoma Breast Stage IV / Estrogen Receptor Negative Breast Cancer / HER 2 Negative Breast Cancer / Male Breast Cancer / Progesterone Receptor- Negative Breast Cancer / Recurrent Breast Cancer / Stage IIIA Breast Cancer / Triple Negative Breast Cancer1

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 Solubility0.00228 mg/mLALOGPS
logP3.51ALOGPS
logP3.78ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)10.85ChemAxon
pKa (Strongest Basic)-4.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area87.3 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity109.42 m3·mol-1ChemAxon
Polarizability41.16 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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/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 20:56 / Updated at June 12, 2020 16:53