Home Nitro Compounds 170569-87-6
170569-87-6,MFCD03453540
Catalog No.:AA00AQ7E

170569-87-6 | 1-HEXADECANOYL-2-(P-NITROPHENOXYSUCCINOYL)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE

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1mg
≥98%
in stock  
$46.00   $32.00
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10mg
95%
in stock  
$65.00   $45.00
- +
25mg
95%
in stock  
$116.00   $81.00
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50mg
95%
in stock  
$193.00   $135.00
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100mg
95%
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$322.00   $225.00
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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:
AA00AQ7E
Chemical Name:
1-HEXADECANOYL-2-(P-NITROPHENOXYSUCCINOYL)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE
CAS Number:
170569-87-6
Molecular Formula:
C16H12F3N3O2S
Molecular Weight:
367.3456
MDL Number:
MFCD03453540
SMILES:
FC(c1nn(c(c1)c1ccccc1)c1ccc(cc1)S(=O)(=O)N)(F)F
Properties
Computed Properties
 
Complexity:
550  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3  

Downstream Synthesis Route
326-06-7   
4-hydrazinobenzene-1-sulfonamidehydrochloride 
  170569-87-6 

[1]Gosselin,Francis;O'Shea,PaulD.;Webster,RobertA.;Reamer,RobertA.;Tillyer,RichardD.;Grabowski,EdwardJ.J.[Synlett,2006,#19,p.3267-3270]

[2]Börgel,Jonas;Tanwar,Lalita;Berger,Florian;Ritter,Tobias[JournaloftheAmericanChemicalSociety,2018,vol.140,#47,p.16026-16031]

[3]Sthalam,VinayKumar;Singh,AjayK.;Pabbaraja,Srihari[OrganicProcessResearchandDevelopment,2019,vol.23,#9,p.1892-1899]

[4]Yamakawa,Naoki;Suzuki,Koichiro;Yamashita,Yasunobu;Katsu,Takashi;Hanaya,Kengo;Shoji,Mitsuru;Sugai,Takeshi;Mizushima,Tohru[BioorganicandMedicinalChemistry,2014,vol.22,#8,p.2529-2534]

[5]Penning,ThomasD.;Talley,JohnJ.;Bertenshaw,StephenR.;Carter,JefferyS.;Collins,PaulW.;Docter,Stephen;Graneto,MatthewJ.;Lee,LenF.;Malecha,JamesW.;Miyashiro,JulieM.;Rogers,RolandS.;Rogier;Yu,StellaS.;Anderson,GaryD.;Burton,EarlG.;Cogburn,J.Nita;Gregory,SusanA.;Koboldt,CarolM.;Perkins,WilliamE.;Seibert,Karen;Veenhuizen,AmyW.;Zhang,YanY.;Isakson,PeterC.[JournalofMedicinalChemistry,1997,vol.40,#9,p.1347-1365]

[1]CurrentPatentAssignee:ZOETISINC.-US5466823,1995,A

[1]CurrentPatentAssignee:ZOETISINC.-US5521207,1996,A

326-06-7   
4-hydrazinobenzene-1-sulfonamidehydrochloride 
  929606-86-0    170569-87-6 

[1]Gosselin,Francis;O'Shea,PaulD.;Webster,RobertA.;Reamer,RobertA.;Tillyer,RichardD.;Grabowski,EdwardJ.J.[Synlett,2006,#19,p.3267-3270]

Literature

Title: 4-(5-Phenyl-3-trifluoro-meth-yl-1H-pyrazol-1--yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: Biomarkers of inflammation in cattle determining the effectiveness of anti-inflammatory drugs.

Journal: Journal of veterinary pharmacology and therapeutics 20100201

Title: Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response.

Journal: Bioorganic & medicinal chemistry letters 20020211

Title: Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

Journal: Journal of medicinal chemistry 20010927

Title: Vinay Kumar Sthalam, et al. An Integrated Continuous Flow Micro-Total Ultrafast Process System (μ-TUFPS) for the Synthesis of Celecoxib and Other Cyclooxygenase Inhibitors. RETURN TO ISSUEPREVARTICLENEXT

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SDS
Tags:170569-87-6 Molecular Formula|170569-87-6 MDL|170569-87-6 SMILES|170569-87-6 1-HEXADECANOYL-2-(P-NITROPHENOXYSUCCINOYL)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE