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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyZaltoprofen
Identification
- Name
- Zaltoprofen
- Accession Number
- DB06737
- Type
- Small Molecule
- Groups
- Experimental
- Description
A non-steroidal anti-inflammatory drug approved for use in Japan in 1993.
- Structure
Structure for Zaltoprofen (DB06737)
- Synonyms
- Zaltoprofen
- Zaltoprofene
- Zaltoprofeno
- Zaltoprofenum
- External IDs
- CN 100 / CN-100 / ZC 102
- International/Other Brands
- Borbit (Yoshindo) / Peleton (Towa Yakuhin) / Peon (Zeria Shinyaku) / Salafapinon (Choseido Pharmaceutical) / Soleng (Kyorin Rimedio) / Soleton (CJ Cheiljedang) / Soluirubin (Taiyo Pharmaceutical) / Zaltoprofen Tatsumi Kagaku (Tatsumi Kagaku) / Zatferon (Sawai Seiyaku) / Zyrogen (Yoo Young)
- Categories
- Acids, Acyclic
- Agents causing hyperkalemia
- Agents that produce hypertension
- Analgesics
- Analgesics, Non-Narcotic
- Anti-Inflammatory Agents
- Anti-Inflammatory Agents, Non-Steroidal
- Antigout Preparations
- Antirheumatic Agents
- Central Nervous System Agents
- Cytochrome P-450 CYP2C9 Substrates
- Fatty Acids
- Fatty Acids, Volatile
- Lipids
- Nephrotoxic agents
- Non COX-2 selective NSAIDS
- Peripheral Nervous System Agents
- Pyrans
- Sensory System Agents
- Sulfur Compounds
- UGT2B7 substrates
- UNII
- H8635NG3PY
- CAS number
- 74711-43-6
- Weight
- Average: 298.36
Monoisotopic: 298.066365485 - Chemical Formula
- C17H14O3S
- InChI Key
- MUXFZBHBYYYLTH-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)
- IUPAC Name
- 2-{10-oxo-2-thiatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-6-yl}propanoic acid
- SMILES
- CC(C(O)=O)C1=CC=C2SC3=C(C=CC=C3)C(=O)CC2=C1
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Pharmacology
- Indication
- Not Available
- Pharmacodynamics
- Not Available
- Mechanism of action
- Not Available
- Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Route of elimination
- Not Available
- Half life
- Not Available
- Clearance
- Not Available
- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
Drug Interaction (R)-warfarin The risk or severity of bleeding and hemorrhage can be increased when Zaltoprofen is combined with (R)-warfarin. (S)-Warfarin The risk or severity of bleeding and hemorrhage can be increased when Zaltoprofen is combined with (S)-Warfarin. 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid The risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Zaltoprofen is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid. 1-benzylimidazole The risk or severity of hypertension can be increased when 1-benzylimidazole is combined with Zaltoprofen. 2,5-Dimethoxy-4-ethylamphetamine The risk or severity of hypertension can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Zaltoprofen. 2,5-Dimethoxy-4-ethylthioamphetamine The risk or severity of hypertension can be increased when Zaltoprofen is combined with 2,5-Dimethoxy-4-ethylthioamphetamine. 4-Bromo-2,5-dimethoxyamphetamine The risk or severity of hypertension can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Zaltoprofen. 4-hydroxycoumarin The risk or severity of bleeding and hemorrhage can be increased when Zaltoprofen is combined with 4-hydroxycoumarin. 4-Methoxyamphetamine The risk or severity of hypertension can be increased when 4-Methoxyamphetamine is combined with Zaltoprofen. 5-methoxy-N,N-dimethyltryptamine The risk or severity of hypertension can be increased when Zaltoprofen is combined with 5-methoxy-N,N-dimethyltryptamine. - Food Interactions
- Not Available
References
- General References
- Hirate K, Uchida A, Ogawa Y, Arai T, Yoda K: Zaltoprofen, a non-steroidal anti-inflammatory drug, inhibits bradykinin-induced pain responses without blocking bradykinin receptors. Neurosci Res. 2006 Apr;54(4):288-94. Epub 2006 Feb 13. [PubMed:16473424]
- External Links
- KEGG Drug
- D01547
- PubChem Compound
- 5720
- PubChem Substance
- 347827786
- ChemSpider
- 5518
- ChEBI
- 32306
- ChEMBL
- CHEMBL1765291
- Wikipedia
- Zaltoprofen
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count Not Available Unknown Status Treatment Injuries, Whiplash 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
Property Value Source Water Solubility 0.0139 mg/mL ALOGPS logP 3.55 ALOGPS logP 3.76 ChemAxon logS -4.3 ALOGPS pKa (Strongest Acidic) 3.67 ChemAxon pKa (Strongest Basic) -7.6 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 54.37 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 83.69 m3·mol-1 ChemAxon Polarizability 31.16 Å3 ChemAxon Number of Rings 3 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzothiepins
- Sub Class
- Dibenzothiepins
- Direct Parent
- Dibenzothiepins
- Alternative Parents
- Diarylthioethers / Aryl alkyl ketones / Vinylogous thioesters / Benzenoids / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives
- Substituents
- Dibenzothiepin / Diarylthioether / Aryl thioether / Aryl ketone / Aryl alkyl ketone / Benzenoid / Vinylogous thioester / Ketone / Thioether / Monocarboxylic acid or derivatives
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
Enzymes
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Substrate
- General Function
- Glucuronosyltransferase activity
- Specific Function
- UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds.Its unique specificity for 3,4-catechol estrogens and estriol su...
- Gene Name
- UGT2B7
- Uniprot ID
- P16662
- Uniprot Name
- UDP-glucuronosyltransferase 2B7
- Molecular Weight
- 60694.12 Da
References
- Zhou SF, Zhou ZW, Yang LP, Cai JP: Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675. Epub 2009 Sep 1. [PubMed:19515014]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Substrate
- General Function
- Steroid hydroxylase activity
- Specific Function
- Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
- Gene Name
- CYP2C9
- Uniprot ID
- P11712
- Uniprot Name
- Cytochrome P450 2C9
- Molecular Weight
- 55627.365 Da
References
- Zhou SF, Zhou ZW, Yang LP, Cai JP: Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675. Epub 2009 Sep 1. [PubMed:19515014]
- Furuta S, Akagawa N, Kamada E, Hiyama A, Kawabata Y, Kowata N, Inaba A, Matthews A, Hall M, Kurimoto T: Involvement of CYP2C9 and UGT2B7 in the metabolism of zaltoprofen, a nonsteroidal anti-inflammatory drug, and its lack of clinically significant CYP inhibition potential. Br J Clin Pharmacol. 2002 Sep;54(3):295-303. [PubMed:12236850]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Substrate
- General Function
- Prostaglandin-endoperoxide synthase activity
- Specific Function
- Converts arachidonate to prostaglandin H2 (PGH2), a committed step in prostanoid synthesis. Involved in the constitutive production of prostanoids in particular in the stomach and platelets. In gas...
- Gene Name
- PTGS1
- Uniprot ID
- P23219
- Uniprot Name
- Prostaglandin G/H synthase 1
- Molecular Weight
- 68685.82 Da
References
- Zhou SF, Zhou ZW, Yang LP, Cai JP: Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675. Epub 2009 Sep 1. [PubMed:19515014]
Drug created on August 31, 2010 14:54 / Updated on November 02, 2018 06:19