Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C30H40N4.2C2H3O2 |
| Molecular Weight | 574.7534 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC([O-])=O.CC([O-])=O.CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]3=C4C=CC=CC4=C(N)C=C3C
InChI
InChIKey=IWYNVAJACBPVLT-UHFFFAOYSA-N
InChI=1S/C30H38N4.2C2H4O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2(3)4/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H3,(H,3,4)
DescriptionCurator's Comment: description was created based on several sources, including:
http://adisinsight.springer.com/drugs/800041300 | http://www.netdoctor.co.uk/medicines/mouth-and-teeth/a6534/dequadin-lozenges-dequalinium/ | https://en.wikipedia.org/wiki/Dequalinium
Curator's Comment: description was created based on several sources, including:
http://adisinsight.springer.com/drugs/800041300 | http://www.netdoctor.co.uk/medicines/mouth-and-teeth/a6534/dequadin-lozenges-dequalinium/ | https://en.wikipedia.org/wiki/Dequalinium
Dequalinium is a quaternary ammonium cation commonly available as the dichloride salt. Dequalinium chloride has an antiseptic effect against a wide range of bacteria, yeasts, and some fungi and viruses. It kills the micro-organisms associated with various mild infections of the mouth and throat. Also, Dequalinium chloride is active against the bacteria which cause bacterial vaginosis. Dequalinium Chloride (DECA) is a PKC inhibitor and high-affinity blocker CNGA1 channel, and nearly as effective on heteromeric CNGA1+CNGB1 channels. Common side effects are: vaginal discharge; vaginal itching or vaginal burning; vaginal yeast infection (thrush); tender tongue.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P29973 Gene ID: 1259.0 Gene Symbol: CNGA1 Target Organism: Homo sapiens (Human) |
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Target ID: heteromeric CNGA1+CNGB1 channels |
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Target ID: CHEMBL299 |
11.5 µM [Ki] | ||
Target ID: CHEMBL3045 |
14.0 µM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Curative | Fluomizin Approved UseDequalinium chloride has an antiseptic effect against a wide range of bacteria, yeasts, and some fungi and viruses. Dequalinium chloride is active against the bacteria which cause bacterial vaginosis. |
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| Curative | Dequadin lozenges Approved UseDequalinium chloride has an antiseptic effect against a wide range of bacteria, yeasts, and some fungi and viruses. It kills the micro-organisms associated with various mild infections of the mouth and throat. |
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| Curative | Dequadin lozenges Approved UseAnginova is used for the local treatment of acute inflammatory diseases in the mouth and throat area such as sore throat, difficulty swallowing, thrush, aphthous ulcers, etc. and as an adjuvant medication for angina. |
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| Curative | Dequadin lozenges Approved UseAnginova is used for the local treatment of acute inflammatory diseases in the mouth and throat area such as sore throat, difficulty swallowing, thrush, aphthous ulcers, etc. and as an adjuvant medication for angina |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Structural mechanisms of QacR induction and multidrug recognition. | 2001 Dec 7 |
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| Suramin prevents cerebellar granule cell-death induced by dequalinium. | 2001 Feb |
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| Delocalized lipophilic cations selectively target the mitochondria of carcinoma cells. | 2001 Jul 2 |
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| Determination for micro amounts of nucleic acids by a resonance light scattering technique with dequalinium chloride. | 2001 Oct 31 |
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| Isothermic titration calorimetry to study CMCs of neutral surfactants and of the liposome-forming bolaamphiphile dequalinium. | 2002 Feb-May |
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| Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. | 2003 May 9 |
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| Additive antinociceptive effect of the combination of diazoxide, an activator of ATP-sensitive K+ channels, and sodium nitroprusside and dibutyryl-cGMP. | 2004 Apr 5 |
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| Cilostazol, an inhibitor of type 3 phosphodiesterase, stimulates large-conductance, calcium-activated potassium channels in pituitary GH3 cells and pheochromocytoma PC12 cells. | 2004 Mar |
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| Type IVB piliated Salmonella typhi enhance IL-6 and NF-kappaB production in human monocytic THP-1 cells through activation of protein kinase C. | 2005 |
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| Flow injection spectrofluorimetric study of the supramolecular interaction between beta-cyclodextrin and dequalinium chloride and its analytical application. | 2005 Jul |
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| Mitochondrial leader sequence--plasmid DNA conjugates delivered into mammalian cells by DQAsomes co-localize with mitochondria. | 2005 Oct |
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| Mechanisms of relaxing response induced by rat/mouse hemokinin-1 in porcine coronary arteries: roles of potassium ion and nitric oxide. | 2007 Aug 13 |
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| Medication administered to children from 0 to 7.5 years in the Avon Longitudinal Study of Parents and Children (ALSPAC). | 2007 Feb |
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| Potassium channel openers accelerate epidermal barrier recovery. | 2007 Nov |
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| G-Protein Inwardly Rectifying Potassium Channel 1 (GIRK1) Knockdown Decreases Beta-Adrenergic, MAP Kinase and Akt Signaling in the MDA-MB-453 Breast Cancer Cell Line. | 2008 |
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| [Diagnosis and treatment of infectious pharyngeal inflammation]. | 2008 |
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| Nanocarrier-assisted sub-cellular targeting to the site of mitochondria improves the pro-apoptotic activity of paclitaxel. | 2008 Aug |
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| Determination of antibacterial quaternary ammonium compound in lozenges and human serum by resonance light scattering technique. | 2008 Nov 4 |
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| Involvement of ATP-sensitive K(+) channels in the peripheral antinociceptive effect induced by the alpha(2)-adrenoceptor agonist xylazine. | 2009 Dec |
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| Real-time analysis of amyloid fibril formation of alpha-synuclein using a fibrillation-state-specific fluorescent probe of JC-1. | 2009 Mar 1 |
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| Alpha-tocopherol transfer protein disruption confers resistance to malarial infection in mice. | 2010 Apr 19 |
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| [The treatment of MRSA colonized middle ear; case report and literature review]. | 2010 Jul |
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| Cell-based and cytokine-directed chemical screen to identify potential anti-multiple myeloma agents. | 2010 Jul |
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| Re-engineering the mitochondrial genomes in mammalian cells. | 2010 Jun |
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| Identification of a κ-opioid agonist as a potent and selective lead for drug development against human African trypanosomiasis. | 2010 Nov 15 |
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| Selective targeting of neuroblastoma tumour-initiating cells by compounds identified in stem cell-based small molecule screens. | 2010 Sep |
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| Metabolic oxidative stress elicited by the copper(II) complex [Cu(isaepy)2] triggers apoptosis in SH-SY5Y cells through the induction of the AMP-activated protein kinase/p38MAPK/p53 signalling axis: evidence for a combined use with 3-bromopyruvate in neuroblastoma treatment. | 2011 Aug 1 |
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| Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation transporter 2. | 2011 Jul 14 |
Patents
Sample Use Guides
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C795
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SUB01591MIG
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223-712-5
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DBSALT002402
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C83662
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DTXSID80193267
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19939
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100000087751
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ACTIVE MOIETY
SUBSTANCE RECORD
