NAV

Istaroxime

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

Identification

Generic Name
Istaroxime
DrugBank Accession Number
DB06157
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 360.498
Monoisotopic: 360.241292898
Chemical Formula
C21H32N2O3
Synonyms
  • (E,Z)-Istaroxime
  • 3-((2-Aminoethoxy)imino)-5alpha-androstan-6,17-dione
  • Istaroxime
External IDs
  • PST 2744
  • PST-2744
  • ST-2744
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Pharmacology

Indication

Investigated for use/treatment in heart disease.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

Reduces the sodium-potassium adenosine triphosphatase (ATPase) activity and stimulates the sarcoplasmic calcium ATPase isoform 2 reuptake function.

TargetActionsOrganism
USarcoplasmic/endoplasmic reticulum calcium ATPase 2Not AvailableHumans
USodium/potassium-transporting ATPase subunit alpha-1Not 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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

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Product Ingredients
IngredientUNIICASInChI Key
Istaroxime hydrochlorideR9SOU1JG5F374559-48-5AXHJYJDJXNOGNI-ROJIRLEOSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
W8I9H2TPPL
CAS number
203737-93-3
InChI Key
MPYLDWFDPHRTEG-IFVNMTGRSA-N
InChI
InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/t14-,15-,16-,17+,20+,21-/m0/s1
IUPAC Name
(3aS,3bR,5aS,9aR,9bS,11aS)-7-[(2-aminoethoxy)imino]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,5-dione
SMILES
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])CC(CC[C@]12C)=NOCCN

References

General References
Not Available
ChemSpider
28521583
ChEMBL
CHEMBL2093999
ZINC
ZINC000256309945
Wikipedia
Istaroxime

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentShock, Cardiogenic1
2CompletedTreatmentAcute Decompensated Heart Failure (ADHF)1
2CompletedTreatmentHeart Failure1
2WithdrawnTreatmentHeart Failure1
1Unknown StatusTreatmentHealthy Subjects (HS)1

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
logP2.64Chemaxon
pKa (Strongest Basic)8.84Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area81.75 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity99.7 m3·mol-1Chemaxon
Polarizability41.74 Å3Chemaxon
Number of Rings4Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ox-0049000000-0660c85c759dad1c3f2d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-e8341bf3e4dff0ba6d13
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00mo-0249000000-72c44c5545a32f0a2f89
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-1000-0019000000-f3d3399392917c411bc5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxr-0049000000-1d77bcb3ceec593092e1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014u-0697000000-c48878f0104c38c3c3fd
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]-189.0084
predicted
DeepCCS 1.0 (2019)
[M+H]+191.40398
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.31651
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
S100 protein binding
Specific Function
This magnesium-dependent enzyme catalyzes the hydrolysis of ATP coupled with the translocation of calcium from the cytosol to the sarcoplasmic reticulum lumen. Isoform 2 is involved in the regulati...
Gene Name
ATP2A2
Uniprot ID
P16615
Uniprot Name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
Molecular Weight
114755.765 Da
References
  1. Mattera GG, Lo Giudice P, Loi FM, Vanoli E, Gagnol JP, Borsini F, Carminati P: Istaroxime: a new luso-inotropic agent for heart failure. Am J Cardiol. 2007 Jan 22;99(2A):33A-40A. Epub 2006 Sep 18. [Article]
Details2. Sodium/potassium-transporting ATPase subunit alpha-1
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Steroid hormone binding
Specific Function
This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates th...
Gene Name
ATP1A1
Uniprot ID
P05023
Uniprot Name
Sodium/potassium-transporting ATPase subunit alpha-1
Molecular Weight
112895.01 Da
References
  1. Mattera GG, Lo Giudice P, Loi FM, Vanoli E, Gagnol JP, Borsini F, Carminati P: Istaroxime: a new luso-inotropic agent for heart failure. Am J Cardiol. 2007 Jan 22;99(2A):33A-40A. Epub 2006 Sep 18. [Article]

Drug created at March 19, 2008 16:14 / Updated at April 22, 2022 00:01