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175203-69-7,MFCD00174055
Catalog No.:AA0020H8

175203-69-7 | 5-(Phenylethynyl)nicotinic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$42.00   $29.00
- +
1g
95%
in stock  
$76.00   $54.00
- +
5g
95%
in stock  
$378.00   $265.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0020H8
Chemical Name:
5-(Phenylethynyl)nicotinic acid
CAS Number:
175203-69-7
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD00174055
SMILES:
OC(=O)c1cncc(c1)C#Cc1ccccc1
Properties
Computed Properties
 
Complexity:
333  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Levell,Julian;Astles,Peter;Eastwood,Paul;Cairns,Jennifer;Houille,Olivier;Aldous,Suzanne;Merriman,Gregory;Whiteley,Brian;Pribish,James;Czekaj,Mark;Liang,Guyan;Maignan,Sebastien;Guilloteau,Jean-Pierre;Dupuy,Alain;Davidson,Jane;Harrison,Trevor;Morley,Andrew;Watson,Simon;Fenton,Garry;McCarthy,Clive;Romano,Joseph;Mathew,Rose;Engers,Darren;Gardyan,Michael;Sides,Keith;Kwong,Jennifer;Tsay,Joseph;Rebello,Sam;Shen,Liduo;Wang,Jie;Luo,Yongyi;Giardino,Odessa;Lim,Heng-Keang;Smith,Keith;Pauls,Henry[BioorganicandMedicinalChemistry,2005,vol.13,#8,p.2859-2872]

[1]Levell,Julian;Astles,Peter;Eastwood,Paul;Cairns,Jennifer;Houille,Olivier;Aldous,Suzanne;Merriman,Gregory;Whiteley,Brian;Pribish,James;Czekaj,Mark;Liang,Guyan;Maignan,Sebastien;Guilloteau,Jean-Pierre;Dupuy,Alain;Davidson,Jane;Harrison,Trevor;Morley,Andrew;Watson,Simon;Fenton,Garry;McCarthy,Clive;Romano,Joseph;Mathew,Rose;Engers,Darren;Gardyan,Michael;Sides,Keith;Kwong,Jennifer;Tsay,Joseph;Rebello,Sam;Shen,Liduo;Wang,Jie;Luo,Yongyi;Giardino,Odessa;Lim,Heng-Keang;Smith,Keith;Pauls,Henry[BioorganicandMedicinalChemistry,2005,vol.13,#8,p.2859-2872]

[2]CurrentPatentAssignee:SANOFI-US2002/45613,2002,A1

[1]Levell,Julian;Astles,Peter;Eastwood,Paul;Cairns,Jennifer;Houille,Olivier;Aldous,Suzanne;Merriman,Gregory;Whiteley,Brian;Pribish,James;Czekaj,Mark;Liang,Guyan;Maignan,Sebastien;Guilloteau,Jean-Pierre;Dupuy,Alain;Davidson,Jane;Harrison,Trevor;Morley,Andrew;Watson,Simon;Fenton,Garry;McCarthy,Clive;Romano,Joseph;Mathew,Rose;Engers,Darren;Gardyan,Michael;Sides,Keith;Kwong,Jennifer;Tsay,Joseph;Rebello,Sam;Shen,Liduo;Wang,Jie;Luo,Yongyi;Giardino,Odessa;Lim,Heng-Keang;Smith,Keith;Pauls,Henry[BioorganicandMedicinalChemistry,2005,vol.13,#8,p.2859-2872]

175203-69-7   
3-1-(5-phenylethynyl-pyridine-3-carbonyl)-piperidin-4-yl-benzimidicacidmethylester 

[1]Levell,Julian;Astles,Peter;Eastwood,Paul;Cairns,Jennifer;Houille,Olivier;Aldous,Suzanne;Merriman,Gregory;Whiteley,Brian;Pribish,James;Czekaj,Mark;Liang,Guyan;Maignan,Sebastien;Guilloteau,Jean-Pierre;Dupuy,Alain;Davidson,Jane;Harrison,Trevor;Morley,Andrew;Watson,Simon;Fenton,Garry;McCarthy,Clive;Romano,Joseph;Mathew,Rose;Engers,Darren;Gardyan,Michael;Sides,Keith;Kwong,Jennifer;Tsay,Joseph;Rebello,Sam;Shen,Liduo;Wang,Jie;Luo,Yongyi;Giardino,Odessa;Lim,Heng-Keang;Smith,Keith;Pauls,Henry[BioorganicandMedicinalChemistry,2005,vol.13,#8,p.2859-2872]

[1]Levell,Julian;Astles,Peter;Eastwood,Paul;Cairns,Jennifer;Houille,Olivier;Aldous,Suzanne;Merriman,Gregory;Whiteley,Brian;Pribish,James;Czekaj,Mark;Liang,Guyan;Maignan,Sebastien;Guilloteau,Jean-Pierre;Dupuy,Alain;Davidson,Jane;Harrison,Trevor;Morley,Andrew;Watson,Simon;Fenton,Garry;McCarthy,Clive;Romano,Joseph;Mathew,Rose;Engers,Darren;Gardyan,Michael;Sides,Keith;Kwong,Jennifer;Tsay,Joseph;Rebello,Sam;Shen,Liduo;Wang,Jie;Luo,Yongyi;Giardino,Odessa;Lim,Heng-Keang;Smith,Keith;Pauls,Henry[BioorganicandMedicinalChemistry,2005,vol.13,#8,p.2859-2872]

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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