Difference between revisions of "OSDDMalaria:Arylpyrazole Series"

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(Aryl Pyrazole Sub-series: added first pubchem id to one of the tcmdc compounds)
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* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/640905 TCMDC-124032]: pXC50 3D7 258 nM ACD LogP 4.06
 
* [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/640905 TCMDC-124032]: pXC50 3D7 258 nM ACD LogP 4.06
  
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Other compounds of interest from PubChem:<br>
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* [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=372804&loc=ec_rcs CID372804]. Commercially available (ABI Chem).
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* [http://www.ncbi.nlm.nih.gov/pccompound?term=11609708 CID11609708]
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* [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3568222&loc=ec_rcs CID3568222]. Commercially available (ABI Chem, AKos, Ambinter, Molport, Specs). Has been assayed for antimalarial activity [http://pubchem.ncbi.nlm.nih.gov/assay/assay.cgi?aid=504832 AID504832], data submitted by [http://www.microbiology.columbia.edu/faculty/fidock.html David Fidock]
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* [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4028326&loc=ec_rcs CID4028326]. Commercially available (ABI Chem, Ambinter, Chemfrog, Molport, Vitas-M, Zinc).
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* [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45589299&loc=ec_rcs CID45589299]. Limited commercial availability (AKos).
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* [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46188955&loc=ec_rcs CID46188955]
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* [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=15338085&loc=ec_rcs CID15338085]
  
 
=== Synthesis ===
 
=== Synthesis ===
  
The core can be synthesised with [http://dx.doi.org/10.1002/jhet.5570240634 apparent ease] from ethylacetoacetate, DMF dimethyl acetal and phenylhydrazine.
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The core can be synthesised with [http://dx.doi.org/10.1002/jhet.5570240634 apparent ease] from ethylacetoacetate, DMF dimethyl acetal and phenylhydrazine. See ELN entries [http://malaria.ourexperiment.org/uri/c0 PMY 43-1]  [http://malaria.ourexperiment.org/uri/c4 PMY 44-1] for the core synthesis and hydrolysis respectively.  
  
 
[[Image:PMY43-1.png|thumb|center|450px|Synthesis of pyrazole core]]
 
[[Image:PMY43-1.png|thumb|center|450px|Synthesis of pyrazole core]]

Latest revision as of 22:16, 4 April 2012

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Aryl Pyrazole Sub-series

The OSDDMalaria pyrazole series is derived from the OSDDMalaria GSK arylpyrrole set.


ChEMBL-NTD TCAMS data set has 89 hits with aryl-pyrazole core; 18 hits with an 5-alkyl aryl pyrazole core; 14 with activity below 500 nanomolar:


Other compounds of interest from PubChem:

Synthesis

The core can be synthesised with apparent ease from ethylacetoacetate, DMF dimethyl acetal and phenylhydrazine. See ELN entries PMY 43-1 PMY 44-1 for the core synthesis and hydrolysis respectively.

Synthesis of pyrazole core