T-900607

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

Identification

Name
T-900607
Accession Number
DB12068
Type
Small Molecule
Groups
Investigational
Description

T900607 has been used in trials studying the treatment of Liver Cancer and Gastric Cancer.

Structure
Thumb
Synonyms
Not Available
External IDs
T 900607 / T900607
Product Ingredients
IngredientUNIICASInChI Key
T 900607 Sodium4L9Y5UF2Q2261944-77-8AJSKTEZZBVEPLY-UHFFFAOYSA-N
Categories
UNII
IC9O2HT1X1
CAS number
261944-52-9
Weight
Average: 411.3
Monoisotopic: 411.031217803
Chemical Formula
C14H10F5N3O4S
InChI Key
FSXLOWIFSZNIMV-UHFFFAOYSA-N
InChI
InChI=1S/C14H10F5N3O4S/c1-26-7-3-2-5(4-6(7)21-14(20)23)22-27(24,25)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,22H,1H3,(H3,20,21,23)
IUPAC Name
[2-methoxy-5-(2,3,4,5,6-pentafluorobenzenesulfonamido)phenyl]urea
SMILES
COC1=CC=C(NS(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1NC(N)=O

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9812416
PubChem Substance
347828377
ChemSpider
7988169

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentLiver Cancer1
2CompletedTreatmentMalignant Neoplasm of Stomach1

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 Solubility0.0511 mg/mLALOGPS
logP2.39ALOGPS
logP1.92ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)5.84ChemAxon
pKa (Strongest Basic)-4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area110.52 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity83.98 m3·mol-1ChemAxon
Polarizability31.5 Å3ChemAxon
Number of Rings2ChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Sulfanilides
Direct Parent
Sulfanilides
Alternative Parents
Benzenesulfonamides / N-phenylureas / Benzenesulfonyl compounds / Methoxyanilines / Phenoxy compounds / Methoxybenzenes / Anisoles / Fluorobenzenes / Alkyl aryl ethers / Aryl fluorides
show 9 more
Substituents
Benzenesulfonamide / N-phenylurea / Sulfanilide / Methoxyaniline / Benzenesulfonyl group / Anisole / Phenoxy compound / Phenol ether / Methoxybenzene / Fluorobenzene
show 24 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:17 / Updated on December 01, 2017 17:31