69002-84-2,MFCD01672033
Catalog No.:AA00FCCZ

69002-84-2 | 5-HYDROXY DICLOFENAC

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$168.00   $117.00
- +
5mg
≥95%
in stock  
$662.00   $463.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00FCCZ
Chemical Name:
5-HYDROXY DICLOFENAC
CAS Number:
69002-84-2
Molecular Formula:
C14H11Cl2NO3
Molecular Weight:
312.1480
MDL Number:
MFCD01672033
SMILES:
OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl
Properties
Computed Properties
 
Complexity:
332  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1990,vol.33,p.2358-2368

[2]ChineseChemicalLetters,2011,vol.22,p.409-412

70-18-8    69002-84-2   
(S)-2-amino-5-(((R)-3-((4-(carboxymethyl)-5-((2,6-dichlorophenyl)amino)-2-hydroxyphenyl)thio)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)amino)-5-oxopentanoicacid 
 
5-hydroxy-6-(glutathion-S-yl)diclofenac 
 
(S)-2-Amino-4-{(R)-1-(carboxymethyl-carbamoyl)-2-3-carboxymethyl-2-(2,6-dichloro-phenylamino)-5-hydroxy-phenylsulfanyl-ethylcarbamoyl}-butyricacid 

[1]JournalofMedicinalChemistry,2004,vol.47,p.2816-2825

[1]JournalofMedicinalChemistry,2004,vol.47,p.2816-2825

[1]Tetrahedron,2004,vol.60,p.3855-3862

Literature

Title: An evaluation of myeloperoxidase-mediated bio-activation of NSAIDs in promyelocytic leukemia (HL-60) cells for potential cytotoxic selectivity.

Journal: Toxicology letters 20171005

Title: Diclofenac toxicity in human intestine ex vivo is not related to the formation of intestinal metabolites.

Journal: Archives of toxicology 20150101

Title: Human NAD(P)H:quinone oxidoreductase 1 (NQO1)-mediated inactivation of reactive quinoneimine metabolites of diclofenac and mefenamic acid.

Journal: Chemical research in toxicology 20140421

Title: One-electron oxidation of diclofenac by human cytochrome P450s as a potential bioactivation mechanism for formation of 2'-(glutathion-S-yl)-deschloro-diclofenac.

Journal: Chemico-biological interactions 20140125

Title: Metabolism related toxicity of diclofenac in yeast as model system.

Journal: Toxicology letters 20110205

Title: Input of selected human pharmaceutical metabolites into the Norwegian aquatic environment.

Journal: Journal of environmental monitoring : JEM 20110201

Title: Removal of diclofenac and mefenamic acid by the white rot fungus Phanerochaete sordida YK-624 and identification of their metabolites after fungal transformation.

Journal: Biodegradation 20100901

Title: Diclofenac oxidation by biogenic manganese oxides.

Journal: Environmental science & technology 20100501

Title: Degradation of the drug sodium diclofenac by Trametes versicolor pellets and identification of some intermediates by NMR.

Journal: Journal of hazardous materials 20100415

Title: Hepatic clearance of reactive glucuronide metabolites of diclofenac in the mouse is dependent on multiple ATP-binding cassette efflux transporters.

Journal: Molecular pharmacology 20100401

Title: Diclofenac hypersensitivity: antibody responses to the parent drug and relevant metabolites.

Journal: PloS one 20100101

Title: Occurrence of diclofenac and its metabolites in surface water and effluent samples from Karachi, Pakistan.

Journal: Chemosphere 20091001

Title: Occurrence of diclofenac and selected metabolites in sewage effluents.

Journal: The Science of the total environment 20081101

Title: Oxidation of diclofenac with ozone in aqueous solution.

Journal: Environmental science & technology 20080901

Title: Transformation of diclofenac by the indigenous microflora of river sediments and identification of a major intermediate.

Journal: Chemosphere 20070901

Title: Investigation of the immunogenicity of diclofenac and diclofenac metabolites.

Journal: Toxicology letters 20070110

Title: Efficient high performance liquid chromatograph/ultraviolet method for determination of diclofenac and 4'-hydroxydiclofenac in rat serum.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20060118

Title: Effects of phenobarbital on metabolism and toxicity of diclofenac sodium in rat hepatocytes in vitro.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20041001

Title: Diclofenac-induced antibodies against red blood cells are heterogeneous and recognize different epitopes.

Journal: Transfusion 20040801

Title: Diclofenac and metabolite pharmacokinetics in children.

Journal: Paediatric anaesthesia 20040601

Title: Residue analysis of the pharmaceutical diclofenac in different water types using ELISA and GC-MS.

Journal: Environmental science & technology 20030801

Title: Diclofenac-induced inactivation of CYP3A4 and its stimulation by quinidine.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20021001

Title: Mechanism-based inactivation of CYP2C11 by diclofenac.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20010901

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Tags:69002-84-2 Molecular Formula|69002-84-2 MDL|69002-84-2 SMILES|69002-84-2 5-HYDROXY DICLOFENAC
Catalog No.: AA00FCCZ
69002-84-2,MFCD01672033
69002-84-2 | 5-HYDROXY DICLOFENAC
Pack Size: 1mg
Purity: ≥95%
in stock
$168.00 $117.00
Pack Size: 5mg
Purity: ≥95%
in stock
$662.00 $463.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00FCCZ
Chemical Name: 5-HYDROXY DICLOFENAC
CAS Number: 69002-84-2
Molecular Formula: C14H11Cl2NO3
Molecular Weight: 312.1480
MDL Number: MFCD01672033
SMILES: OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl
Properties
Complexity: 332  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
30267-40-4    69002-84-2 

[1]JournalofMedicinalChemistry,1990,vol.33,p.2358-2368

[2]ChineseChemicalLetters,2011,vol.22,p.409-412

70-18-8    69002-84-2   
(S)-2-amino-5-(((R)-3-((4-(carboxymethyl)-5-((2,6-dichlorophenyl)amino)-2-hydroxyphenyl)thio)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)amino)-5-oxopentanoicacid 
 
5-hydroxy-6-(glutathion-S-yl)diclofenac 
 
(S)-2-Amino-4-{(R)-1-(carboxymethyl-carbamoyl)-2-3-carboxymethyl-2-(2,6-dichloro-phenylamino)-5-hydroxy-phenylsulfanyl-ethylcarbamoyl}-butyricacid 

[1]JournalofMedicinalChemistry,2004,vol.47,p.2816-2825

698357-97-0    69002-84-2 

[1]JournalofMedicinalChemistry,2004,vol.47,p.2816-2825

15307-79-6    64118-84-9    69002-85-3    69002-84-2 

[1]Tetrahedron,2004,vol.60,p.3855-3862

Literature fold

Title: An evaluation of myeloperoxidase-mediated bio-activation of NSAIDs in promyelocytic leukemia (HL-60) cells for potential cytotoxic selectivity.

Journal: Toxicology letters20171005

Title: Diclofenac toxicity in human intestine ex vivo is not related to the formation of intestinal metabolites.

Journal: Archives of toxicology20150101

Title: Human NAD(P)H:quinone oxidoreductase 1 (NQO1)-mediated inactivation of reactive quinoneimine metabolites of diclofenac and mefenamic acid.

Journal: Chemical research in toxicology20140421

Title: One-electron oxidation of diclofenac by human cytochrome P450s as a potential bioactivation mechanism for formation of 2'-(glutathion-S-yl)-deschloro-diclofenac.

Journal: Chemico-biological interactions20140125

Title: Metabolism related toxicity of diclofenac in yeast as model system.

Journal: Toxicology letters20110205

Title: Input of selected human pharmaceutical metabolites into the Norwegian aquatic environment.

Journal: Journal of environmental monitoring : JEM20110201

Title: Removal of diclofenac and mefenamic acid by the white rot fungus Phanerochaete sordida YK-624 and identification of their metabolites after fungal transformation.

Journal: Biodegradation20100901

Title: Diclofenac oxidation by biogenic manganese oxides.

Journal: Environmental science & technology20100501

Title: Degradation of the drug sodium diclofenac by Trametes versicolor pellets and identification of some intermediates by NMR.

Journal: Journal of hazardous materials20100415

Title: Hepatic clearance of reactive glucuronide metabolites of diclofenac in the mouse is dependent on multiple ATP-binding cassette efflux transporters.

Journal: Molecular pharmacology20100401

Title: Diclofenac hypersensitivity: antibody responses to the parent drug and relevant metabolites.

Journal: PloS one20100101

Title: Occurrence of diclofenac and its metabolites in surface water and effluent samples from Karachi, Pakistan.

Journal: Chemosphere20091001

Title: Occurrence of diclofenac and selected metabolites in sewage effluents.

Journal: The Science of the total environment20081101

Title: Oxidation of diclofenac with ozone in aqueous solution.

Journal: Environmental science & technology20080901

Title: Transformation of diclofenac by the indigenous microflora of river sediments and identification of a major intermediate.

Journal: Chemosphere20070901

Title: Investigation of the immunogenicity of diclofenac and diclofenac metabolites.

Journal: Toxicology letters20070110

Title: Efficient high performance liquid chromatograph/ultraviolet method for determination of diclofenac and 4'-hydroxydiclofenac in rat serum.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences20060118

Title: Effects of phenobarbital on metabolism and toxicity of diclofenac sodium in rat hepatocytes in vitro.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20041001

Title: Diclofenac-induced antibodies against red blood cells are heterogeneous and recognize different epitopes.

Journal: Transfusion20040801

Title: Diclofenac and metabolite pharmacokinetics in children.

Journal: Paediatric anaesthesia20040601

Title: Residue analysis of the pharmaceutical diclofenac in different water types using ELISA and GC-MS.

Journal: Environmental science & technology20030801

Title: Diclofenac-induced inactivation of CYP3A4 and its stimulation by quinidine.

Journal: Drug metabolism and disposition: the biological fate of chemicals20021001

Title: Mechanism-based inactivation of CYP2C11 by diclofenac.

Journal: Drug metabolism and disposition: the biological fate of chemicals20010901

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