NAV

SNS-032

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

Identification

Generic Name
SNS-032
DrugBank Accession Number
DB05969
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 380.53
Monoisotopic: 380.134068377
Chemical Formula
C17H24N4O2S2
Synonyms
Not Available
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Pharmacology

Indication

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

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
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Substituents
2,5-disubstituted 1,3-oxazole / 2,5-disubstituted 1,3-thiazole / Alkylarylthioether / Amine / Amino acid or derivatives / Aromatic heteromonocyclic compound / Aryl thioether / Azacycle / Azole / Carbonyl group
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Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
9979I93686
CAS number
345627-80-7
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

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. [Article]
  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. [Article]
ChemSpider
2291614
BindingDB
5931
ChEBI
91399
ChEMBL
CHEMBL296468
ZINC
ZINC000003816409
PDBe Ligand
56H
PDB Entries
5d1j

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentB-cell Lymphoid Malignancies / Chronic Lymphocytic Leukemia / Mantle Cell Lymphoma (MCL) / Multiple Myeloma (MM)1
1CompletedTreatmentTumor1

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/MSsplash10-001i-0109000000-00683f29f094ede70674
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01xt-6529000000-da3d36c8aad76f20af93
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q9-0009000000-56e5cb27f364fe07870f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-06tf-3494000000-69aaf85232ca48dce7ed
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q0-8898000000-7b0cd99d3d91945e2ce4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0axu-3912000000-b9232b83e5140ed542a4
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]-192.7629501
predicted
DarkChem Lite v0.1.0
[M-H]-180.0442
predicted
DeepCCS 1.0 (2019)
[M+H]+193.4399501
predicted
DarkChem Lite v0.1.0
[M+H]+182.4022
predicted
DeepCCS 1.0 (2019)
[M+Na]+192.7072501
predicted
DarkChem Lite v0.1.0
[M+Na]+188.90813
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Cyclin-dependent kinase 7
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
Details2. Vascular endothelial growth factor A
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 at November 18, 2007 18:29 / Updated at June 12, 2020 16:52