RG-4733

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

Identification

Name
RG-4733
Accession Number
DB11870
Description

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
Thumb
Weight
Average: 469.412
Monoisotopic: 469.142482331
Chemical Formula
C22H20F5N3O3
Synonyms
Not Available
External IDs
  • RO 4929097
  • RO-4929097

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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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
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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

Products

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)

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[[email protected]]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
2CompletedTreatmentAdenocarcinoma of the Pancreas / Recurrent Pancreatic Cancer / Stage IV Pancreatic Cancer1
2CompletedTreatmentClear Cell Renal Cell Carcinoma / 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 Cancer1
2CompletedTreatmentRecurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma / Stage IV Fallopian Tube Cancer / Stage IV Ovarian Cancer / Stage IV Primary Peritoneal Cancer1
2TerminatedTreatmentAcral Lentiginous Malignant Melanoma / Lentigo Maligna Malignant Melanoma / Nodular Malignant Melanoma / Recurrent Melanoma / Solar Radiation-related Skin Melanoma / Stage IV Melanoma / Superficial Spreading Malignant Melanoma1
2TerminatedTreatmentAdenocarcinoma of the Prostate / Recurrent Prostate Cancer / Stage IV Prostate Cancer1
2TerminatedTreatmentAdult Giant Cell Glioblastoma / Adult Glioblastoma / Adult Gliosarcoma / Recurrent Adult Brain Tumor1
2TerminatedTreatmentEstrogen Receptor-negative Breast Cancer / HER2 Negative Breast Cancer / HER2-Negative Breast Cancer / Male Breast Cancer / Progesterone Receptor-negative Breast Cancer / Recurrent Breast Cancer / Stage IIIA Breast Cancer / Stage IIIB Breast Cancer / Stage IIIC Breast Cancer / Stage IV Breast Cancer / Triple Negative Breast Cancer (TNBC) / Triple-Negative Breast Cancer (TNBC)1
2TerminatedTreatmentNon-Small Cell Lung Cancer Recurrent / Stage IIIb Non-small Cell Lung Cancer / Stage IV Non-Small Cell Lung 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 on October 20, 2016 14:56 / Updated on June 12, 2020 10:53

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