NAV

Cariporide

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

Identification

Generic Name
Cariporide
DrugBank Accession Number
DB06468
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 283.35
Monoisotopic: 283.099062593
Chemical Formula
C12H17N3O3S
Synonyms
  • Cariporide
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Pharmacology

Indication

Investigated for use/treatment in cardiac surgery.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

Cariporide is a selective sodium-hydrogen antiporter inhibitor. The sodium-hydrogen exchanger is an importatn player in the pathophysiology of myocardial ischemia-referfusion injury. The accumulation of hydrogen ions in the myocyte cytoso; during ischemia creates a proton gradiant that promote the efflux of hydrogen ions in exchange for the influx of sodium ions. This sodium buildup can secondary activates the sodium-calcium exchanger to operate in the reverse mode, resulting in a net calcium accumulation in myocyte cytosol, which leads to dysfunction and cell death. By inhibiting sodium-hydrogen exchange, Cariporide can prevent the accumulation of calcium in cytosol, therefore reduce the infarct size.

TargetActionsOrganism
USodium/hydrogen exchanger 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
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.
DrugInteraction
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interactions in your software
AcebutololAcebutolol may increase the arrhythmogenic activities of Cariporide.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Cariporide.
AcrivastineThe risk or severity of QTc prolongation can be increased when Cariporide is combined with Acrivastine.
AdenosineAdenosine may increase the arrhythmogenic activities of Cariporide.
AjmalineAjmaline may increase the arrhythmogenic activities of Cariporide.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Cariporide Mesylate0543W2JFRZ159138-81-5FNDLQABGYJQJPH-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Monoterpenoids
Direct Parent
Aromatic monoterpenoids
Alternative Parents
Monocyclic monoterpenoids / Phenylpropanes / Cumenes / Benzoic acids and derivatives / Benzenesulfonyl compounds / Benzoyl derivatives / Acylguanidines / Sulfones / Propargyl-type 1,3-dipolar organic compounds / Carboxylic acids and derivatives
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Substituents
Acylguanidine / Aromatic homomonocyclic compound / Aromatic monoterpenoid / Benzenesulfonyl group / Benzenoid / Benzoic acid or derivatives / Benzoyl / Carboximidamide / Carboxylic acid derivative / Cumene
show 17 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7E3392891K
CAS number
159138-80-4
InChI Key
IWXNYAIICFKCTM-UHFFFAOYSA-N
InChI
InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)
IUPAC Name
N-carbamimidoyl-3-methanesulfonyl-4-(propan-2-yl)benzamide
SMILES
CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)NC(N)=N

References

General References
Not Available
ChemSpider
133240
BindingDB
50058759
ChEMBL
CHEMBL436559
ZINC
ZINC000013474734
PDBe Ligand
HG0
Wikipedia
Cariporide
PDB Entries
7dsx

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.15 mg/mLALOGPS
logP0.86ALOGPS
logP0.63Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)10.27Chemaxon
pKa (Strongest Basic)7.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area113.11 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity84.17 m3·mol-1Chemaxon
Polarizability29 Å3Chemaxon
Number of Rings1Chemaxon
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-MSsplash10-0f6y-4690000000-fe8e23b0cc8fe654f7a0
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-b306d529a010e1eea5f2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0190000000-9e349db80f84b5f46a4c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0005-5930000000-d1747206242c086c4f99
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0390000000-fdfe75a9ba0a10de53f7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9220000000-fc042c4c35f6ccc70d3d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0930000000-71dd2dd8c44c87c86bde
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]-161.43889
predicted
DeepCCS 1.0 (2019)
[M+H]+163.79689
predicted
DeepCCS 1.0 (2019)
[M+Na]+170.00826
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Sodium/hydrogen exchanger 1
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Solute:proton antiporter activity
Specific Function
Involved in pH regulation to eliminate acids generated by active metabolism or to counter adverse environmental conditions. Major proton extruding system driven by the inward sodium ion chemical gr...
Gene Name
SLC9A1
Uniprot ID
P19634
Uniprot Name
Sodium/hydrogen exchanger 1
Molecular Weight
90762.13 Da

Enzymes

Details1. Myeloperoxidase
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Peroxidase activity
Specific Function
Part of the host defense system of polymorphonuclear leukocytes. It is responsible for microbicidal activity against a wide range of organisms. In the stimulated PMN, MPO catalyzes the production o...
Gene Name
MPO
Uniprot ID
P05164
Uniprot Name
Myeloperoxidase
Molecular Weight
83867.71 Da
References
  1. McAllister SE, Moses MA, Jindal K, Ashrafpour H, Cahoon NJ, Huang N, Neligan PC, Forrest CR, Lipa JE, Pang CY: Na+/H+ exchange inhibitor cariporide attenuates skeletal muscle infarction when administered before ischemia or reperfusion. J Appl Physiol (1985). 2009 Jan;106(1):20-8. doi: 10.1152/japplphysiol.91069.2008. Epub 2008 Nov 20. [Article]

Drug created at March 19, 2008 16:34 / Updated at February 21, 2021 18:52