NAV

T-900607

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

Identification

Generic Name
T-900607
DrugBank Accession Number
DB12068
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 411.3
Monoisotopic: 411.031217803
Chemical Formula
C14H10F5N3O4S
Synonyms
Not Available
External IDs
  • T 900607
  • T900607
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

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
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
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. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
IngredientUNIICASInChI Key
T 900607 Sodium4L9Y5UF2Q2261944-77-8AJSKTEZZBVEPLY-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alkyl aryl ether / Aminosulfonyl compound / Anisole / Aromatic homomonocyclic compound / Aryl fluoride / Aryl halide / Benzenesulfonamide / Benzenesulfonyl group / Carbonic acid derivative / Carbonyl group
show 24 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
IC9O2HT1X1
CAS number
261944-52-9
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

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentGastric Cancer1
2CompletedTreatmentLiver Cancer1
2SuspendedTreatmentEsophageal Neoplasms / Gastric Cancer1
2TerminatedTreatmentNon-Hodgkin's Lymphoma (NHL)1
2Unknown StatusTreatmentHepatocellular Carcinoma1

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-MSsplash10-001i-1957000000-9695dc8f20376f8791f2
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-0004900000-9d7fabf18c37491502cf
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1019000000-3216b667908182c09f50
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009200000-4160b91971b56aa92bb7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-34d2fd89b1f96e8a1b59
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001r-0496000000-87b80c94b8d3cc0dde28
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxr-0249000000-10be5b273f30bdcb3744
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-180.23372
predicted
DeepCCS 1.0 (2019)
[M+H]+182.59172
predicted
DeepCCS 1.0 (2019)
[M+Na]+189.36827
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:17 / Updated at June 12, 2020 16:53