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

Identification

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Name
SNS-032
Accession Number
DB05969
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
9979I93686
CAS number
345627-80-7
Weight
Average: 380.53
Monoisotopic: 380.134068377
Chemical Formula
C17H24N4O2S2
InChI Key
OUSFTKFNBAZUKL-UHFFFAOYSA-N
InChI
InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
IUPAC Name
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILES
CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCNCC3)S2)O1

Pharmacology

Indication

Investigated for use/treatment in cancer/tumors (unspecified), leukemia (unspecified), lymphoma (unspecified), multiple myeloma, and solid tumors.

Pharmacodynamics
Not Available
Mechanism of action

SNS-032 is a potent and selective inhibitor of CDKs 2, 7 and 9, which are critical in the communication and relay of signals to promote cellular growth and function. CDK2 is involved in cellular proliferation by regulating the initiation of and progression through the DNA-synthesis phase of the cell cycle. CDK7 and CDK9 are involved in transcriptional regulation of certain proteins involved in cell survival. Inappropriate activity by these CDKs can lead to unregulated proliferation, avoidance of apoptosis and increased cell survival, all of which are hallmarks of cancer. By selectively targeting these CDKs, SNS-032 may halt both aberrant cell proliferation and induce apoptosis.

TargetActionsOrganism
UCyclin-dependent kinase 7Not AvailableHumans
UVascular endothelial growth factor ANot AvailableHumans
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
  1. Heath EI, Bible K, Martell RE, Adelman DC, Lorusso PM: A phase 1 study of SNS-032 (formerly BMS-387032), a potent inhibitor of cyclin-dependent kinases 2, 7 and 9 administered as a single oral dose and weekly infusion in patients with metastatic refractory solid tumors. Invest New Drugs. 2008 Feb;26(1):59-65. Epub 2007 Oct 16. [PubMed:17938863]
  2. Ali MA, Choy H, Habib AA, Saha D: SNS-032 prevents tumor cell-induced angiogenesis by inhibiting vascular endothelial growth factor. Neoplasia. 2007 May;9(5):370-81. [PubMed:17534442]
External Links
ChemSpider
2291614
BindingDB
5931
ChEBI
91399
ChEMBL
CHEMBL296468
HET
56H
PDB Entries
5d1j

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentB-lymphoid Malignancies / Chronic Lymphocytic Leukaemia (CLL) / Mantle Cell Lymphoma (MCL) / Multiple Myeloma (MM)1
1CompletedTreatmentTumors1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0252 mg/mLALOGPS
logP2.49ALOGPS
logP1.89ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)10.85ChemAxon
pKa (Strongest Basic)10.06ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area80.05 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity101.29 m3·mol-1ChemAxon
Polarizability42.68 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as piperidinecarboxamides. These are compounds containing a piperidine ring substituted with a carboxamide functional group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Piperidinecarboxylic acids and derivatives
Direct Parent
Piperidinecarboxamides
Alternative Parents
N-arylamides / Alkylarylthioethers / 2,5-disubstituted thiazoles / 2,5-disubstituted oxazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids and derivatives / Sulfenyl compounds / Oxacyclic compounds / Dialkylamines
show 5 more
Substituents
Piperidinecarboxamide / Aryl thioether / N-arylamide / 2,5-disubstituted 1,3-oxazole / 2,5-disubstituted 1,3-thiazole / Alkylarylthioether / Azole / Heteroaromatic compound / Oxazole / Thiazole
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Transcription coactivator activity
Specific Function
Serine/threonine kinase involved in cell cycle control and in RNA polymerase II-mediated RNA transcription. Cyclin-dependent kinases (CDKs) are activated by the binding to a cyclin and mediate the ...
Gene Name
CDK7
Uniprot ID
P50613
Uniprot Name
Cyclin-dependent kinase 7
Molecular Weight
39038.005 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Vascular endothelial growth factor receptor binding
Specific Function
Growth factor active in angiogenesis, vasculogenesis and endothelial cell growth. Induces endothelial cell proliferation, promotes cell migration, inhibits apoptosis and induces permeabilization of...
Gene Name
VEGFA
Uniprot ID
P15692
Uniprot Name
Vascular endothelial growth factor A
Molecular Weight
27042.205 Da

Drug created on November 18, 2007 11:29 / Updated on June 04, 2019 06:20