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866460-33-5,MFCD23136043
Catalog No.:AA00GU3P

866460-33-5 | 2-(2-(1-naphthoyl)-8-fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid

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5mg
≥98%
in stock  
$70.00   $49.00
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10mg
≥98%
in stock  
$132.00   $92.00
- +
25mg
98%
in stock  
$213.00   $149.00
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100mg
98%
in stock  
$570.00   $399.00
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1000mg
98% by HPLC
in stock  
$4,634.00   $3,244.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00GU3P
Chemical Name:
2-(2-(1-naphthoyl)-8-fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid
CAS Number:
866460-33-5
Molecular Formula:
C24H19FN2O3
Molecular Weight:
402.4177
MDL Number:
MFCD23136043
SMILES:
Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2
Properties
Computed Properties
 
Complexity:
673  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4.1  

Downstream Synthesis Route

[1]Fretz,Heinz;Valdenaire,Anja;Pothier,Julien;Hilpert,Kurt;Gnerre,Carmela;Peter,Oliver;Leroy,Xavier;Riederer,MarkusA.[JournalofMedicinalChemistry,2013,vol.56,#12,p.4899-4911]

[1]Fretz,Heinz;Valdenaire,Anja;Pothier,Julien;Hilpert,Kurt;Gnerre,Carmela;Peter,Oliver;Leroy,Xavier;Riederer,MarkusA.[JournalofMedicinalChemistry,2013,vol.56,#12,p.4899-4911]

[1]Fretz,Heinz;Valdenaire,Anja;Pothier,Julien;Hilpert,Kurt;Gnerre,Carmela;Peter,Oliver;Leroy,Xavier;Riederer,MarkusA.[JournalofMedicinalChemistry,2013,vol.56,#12,p.4899-4911]

39876-39-6   
2-(2-(1-naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido4,3-b-indol-5(2H)-yl)aceticacid 

[1]JournalofMedicinalChemistry,2013,vol.56,p.4899-4911

Literature

Title: Heinz Fretz, et al. Identification of 2 (2-(1-Naphthoyl)-8-fluoro-3,4-dihydro 1H pyrido,3 bindol-5(2H) yl)acetic Acid (Setipiprant/ACT 129968), a Potent, Selective, and Orally Bioavailable Chemoattractant Receptor-Homologous Molecule Expressed on Th2 Cells (CRTH2) Antagonis. 2013.

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SDS
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Tags:866460-33-5 Molecular Formula|866460-33-5 MDL|866460-33-5 SMILES|866460-33-5 2-(2-(1-naphthoyl)-8-fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acid