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Home Other Building Blocks 93866-50-3
93866-50-3,MFCD06740205
Catalog No.:AA00GZKP

93866-50-3 | 3-PHENYLETHYNYL-BENZOIC ACID

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100mg
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$158.00   $110.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00GZKP
Chemical Name:
3-PHENYLETHYNYL-BENZOIC ACID
CAS Number:
93866-50-3
Molecular Formula:
C15H10O2
Molecular Weight:
222.2387
MDL Number:
MFCD06740205
SMILES:
OC(=O)c1cccc(c1)C#Cc1ccccc1
NSC Number:
171754
Properties
Computed Properties
 
Complexity:
327  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4  

Downstream Synthesis Route

[1]Kochi;Hammond[JournaloftheAmericanChemicalSociety,1953,vol.75,p.3452,3453]

(+/-)-<i>erythro</i>-α,α'-dibromo-bibenzyl-3-carboxylicacid 
  93866-50-3 

[1]Kochi;Hammond[JournaloftheAmericanChemicalSociety,1953,vol.75,p.3452,3453]

[1]Kochi;Hammond[JournaloftheAmericanChemicalSociety,1953,vol.75,p.3452,3453]

[1]CurrentPatentAssignee:PFIZERINC-WO2004/18414,2004,A2Locationinpatent:Page99-100

[2]CurrentPatentAssignee:PFIZERINC-WO2009/143404,2009,A1Locationinpatent:Page/Pagecolumn46

[1]Doebelin,Christelle;Bertin,Isabelle;Schneider,Séverine;Schmitt,Martine;Bourguignon,Jean-Jacques;Ancel,Caroline;Simonneaux,Valerie;Simonin,Frédéric;Bihel,Frédéric[ChemMedChem,2016,p.2147-2154]

[2]CurrentPatentAssignee:THEWALTERANDELIZAHALLINSTITUTEOFMEDICALRESEARCH-US2008/153802,2008,A1Locationinpatent:Page/Pagecolumn105

Literature

Title: Inhibition of xc⁻ transporter-mediated cystine uptake by sulfasalazine analogs.

Journal: Bioorganic & medicinal chemistry letters 20111015

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