This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Cariporide
- DrugBank Accession Number
- DB06468
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Cariporide (DB06468)
- Weight
- Average: 283.35
Monoisotopic: 283.099062593 - Chemical Formula
- C12H17N3O3S
- Synonyms
- Cariporide
Pharmacology
- Indication
Investigated for use/treatment in cardiac surgery.
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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.
Target Actions Organism ASodium/hydrogen exchanger 1 inhibitorHumans ASodium/hydrogen exchanger 3 inhibitorHumans - 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol Acebutolol may increase the arrhythmogenic activities of Cariporide. Acetyldigitoxin Acetyldigitoxin may increase the arrhythmogenic activities of Cariporide. Acrivastine The risk or severity of QTc prolongation can be increased when Cariporide is combined with Acrivastine. Adenosine Adenosine may increase the arrhythmogenic activities of Cariporide. Ajmaline Ajmaline may increase the arrhythmogenic activities of Cariporide. - Food Interactions
- Not Available
Products
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Ingredient UNII CAS InChI Key Cariporide Mesylate 0543W2JFRZ 159138-81-5 FNDLQABGYJQJPH-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 show 5 more
- 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
- External Links
- ChemSpider
- 133240
- BindingDB
- 50058759
- ChEMBL
- CHEMBL436559
- ZINC
- ZINC000013474734
- PDBe Ligand
- HG0
- Wikipedia
- Cariporide
- PDB Entries
- 7dsx
Clinical Trials
- Clinical Trials
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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
Property Value Source Water Solubility 0.15 mg/mL ALOGPS logP 0.86 ALOGPS logP 0.63 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 10.27 Chemaxon pKa (Strongest Basic) 7.62 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 113.11 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 84.17 m3·mol-1 Chemaxon Polarizability 29 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0f6y-4690000000-fe8e23b0cc8fe654f7a0 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0090000000-b306d529a010e1eea5f2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0190000000-9e349db80f84b5f46a4c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0005-5930000000-d1747206242c086c4f99 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0390000000-fdfe75a9ba0a10de53f7 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9220000000-fc042c4c35f6ccc70d3d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0930000000-71dd2dd8c44c87c86bde Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 161.43889 predictedDeepCCS 1.0 (2019) [M+H]+ 163.79689 predictedDeepCCS 1.0 (2019) [M+Na]+ 170.00826 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Electroneutral Na(+) /H(+) antiporter that extrudes Na(+) in exchange for external protons driven by the inward sodium ion chemical gradient, protecting cells from acidification that occurs from metabolism (PubMed:11350981, PubMed:11532004, PubMed:14680478, PubMed:15035633, PubMed:15677483, PubMed:17073455, PubMed:17493937, PubMed:22020933, PubMed:27650500, PubMed:32130622, PubMed:7110335, PubMed:7603840). Exchanges intracellular H(+) ions for extracellular Na(+) in 1:1 stoichiometry (By similarity). Plays a key role in maintening intracellular pH neutral and cell volume, and thus is important for cell growth, proliferation, migration and survival (PubMed:12947095, PubMed:15096511, PubMed:22020933, PubMed:8901634). In addition, can transport lithium Li(+) and functions also as a Na(+)/Li(+) antiporter (PubMed:7603840). SLC9A1 also functions in membrane anchoring and organization of scaffolding complexes that coordinate signaling inputs (PubMed:15096511)
- Specific Function
- calcium-dependent protein binding
- Gene Name
- SLC9A1
- Uniprot ID
- P19634
- Uniprot Name
- Sodium/hydrogen exchanger 1
- Molecular Weight
- 90762.13 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Plasma membrane Na(+)/H(+) antiporter (PubMed:18829453, PubMed:26358773, PubMed:35613257). Exchanges intracellular H(+) ions for extracellular Na(+) in 1:1 stoichiometry, playing a key role in salt and fluid absorption and pH homeostasis (By similarity). Major apical Na(+)/H(+) exchanger in kidney and intestine playing an important role in renal and intestine Na(+) absorption and blood pressure regulation (PubMed:24622516, PubMed:26358773)
- Specific Function
- identical protein binding
- Gene Name
- SLC9A3
- Uniprot ID
- P48764
- Uniprot Name
- Sodium/hydrogen exchanger 3
- Molecular Weight
- 92853.665 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Enzymes
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General 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 of hypohalous acids, primarily hypochlorous acid in physiologic situations, and other toxic intermediates that greatly enhance PMN microbicidal activity (PubMed:9922160). Mediates the proteolytic cleavage of alpha-1-microglobulin to form t-alpha-1-microglobulin, which potently inhibits oxidation of low-density lipoprotein particles and limits vascular damage (PubMed:25698971)
- Specific Function
- chromatin binding
- Gene Name
- MPO
- Uniprot ID
- P05164
- Uniprot Name
- Myeloperoxidase
- Molecular Weight
- 83867.71 Da
References
- 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 August 26, 2024 19:22