Tasisulam

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

Identification

Name
Tasisulam
Accession Number
DB11941
Type
Small Molecule
Groups
Investigational
Description

Tasisulam has been used in trials studying the treatment and basic science of Melanoma, Lymphoma, Solid Tumors, Breast Cancer, and Ovarian Cancer, among others.

Structure
Thumb
Synonyms
  • LY573636
External IDs
LY-573636
Product Ingredients
IngredientUNIICASInChI Key
Tasisulam SodiumO3955SHR9J519055-63-1JCOHXVDKRMWUQP-UHFFFAOYSA-M
Categories
UNII
1YC4W9MSLJ
CAS number
519055-62-0
Weight
Average: 415.1
Monoisotopic: 412.834954
Chemical Formula
C11H6BrCl2NO3S2
InChI Key
WWONFUQGBVOKOF-UHFFFAOYSA-N
InChI
InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
IUPAC Name
N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
SMILES
ClC1=CC(Cl)=C(C=C1)C(=O)NS(=O)(=O)C1=CC=C(Br)S1

Pharmacology

Indication
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
10160238
PubChem Substance
347828268
ChemSpider
8335746
ChEMBL
CHEMBL2110587

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentEssential Thrombocythemia (ET) / Leukemia Acute Myeloid Leukemia (AML)1
1CompletedTreatmentMetastatic Renal Cell Cancer1
1CompletedTreatmentTumors, Solid2
1TerminatedBasic ScienceCancer, Advanced1
1TerminatedTreatmentCancer, Advanced / Malignant Lymphomas1
2CompletedTreatmentCancer of the Ovary / Fallopian Tube Cancer / Primary Peritoneal Cancer1
2CompletedTreatmentCancer, Breast1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2CompletedTreatmentMetastatic Melanoma1
2CompletedTreatmentSoft Tissue Sarcoma (STS)1
3TerminatedTreatmentMelanoma1

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 Solubility0.00269 mg/mLALOGPS
logP3.47ALOGPS
logP4.51ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)4.03ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.24 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity81.11 m3·mol-1ChemAxon
Polarizability33.94 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 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives / Benzoyl derivatives / Dichlorobenzenes / 2,5-disubstituted thiophenes / Aryl bromides / Aryl chlorides / Vinylogous halides / Organosulfonic acids and derivatives / Aminosulfonyl compounds / Heteroaromatic compounds
show 7 more
Substituents
2-halobenzoic acid or derivatives / 4-halobenzoic acid or derivatives / Benzoyl / 1,3-dichlorobenzene / Chlorobenzene / Halobenzene / 2,5-disubstituted thiophene / Aryl chloride / Aryl halide / Aryl bromide
show 20 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:02 / Updated on August 02, 2018 06:31