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926241-24-9,MFCD04969231
Catalog No.:AA00IH6V

926241-24-9 | (3-Trifluoromethyl-pyrazol-1-yl)-acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$300.00   $210.00
- +
250mg
95%
in stock  
$506.00   $354.00
- +
1g
95%
in stock  
$829.00   $581.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IH6V
Chemical Name:
(3-Trifluoromethyl-pyrazol-1-yl)-acetic acid
CAS Number:
926241-24-9
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD04969231
SMILES:
OC(=O)Cn1ccc(n1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
207  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.8  

Downstream Synthesis Route

[1]Du,Xiaohui;Chen,Xiaoqi;Mihalic,JeffreyT.;Deignan,Jeffrey;Duquette,Jason;Li,An-Rong;Lemon,Bryan;Ma,Ji;Miao,Shichang;Ebsworth,Karen;Sullivan,TimothyJ.;Tonn,George;Collins,TassieL.;Medina,JulioC.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#2,p.608-613]

[1]CurrentPatentAssignee:CHEMOCENTRYXINC-US2014/57937,2014,A1Locationinpatent:Paragraph0235;0236

[1]CurrentPatentAssignee:REDXPHARMAPLC-WO2016/51193,2016,A1Locationinpatent:Paragraph00553;00556;00557

[2]CurrentPatentAssignee:PFIZERINC-WO2014/53967,2014,A1Locationinpatent:Page/Pagecolumn158

926241-24-9   
(S)-N-(7-(2-(1-amino-2-(3,5-difluorophenyl)ethyl)-4-oxo-7-(trifluoromethyl)quinazolin-3(4H)-yl)-4-chloro-1-methyl-1H-indazol-3-yl)methanesulfonamide 
 
(S)-N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-7-(trifluoromethyl)-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamide 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/203235,2018,A1Locationinpatent:Page/Pagecolumn358

926241-24-9   
(S)-N-(7-(2-(1-amino-2-(3,5-difluorophenyl)ethyl)-4-oxo-6-(trifluoromethoxy)quinazolin-3(4H)-yl)-4-chloro-1-methyl-1H-indazol-3-yl)methanesulfonamide 
 
(S)-N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-6-(trifluoromethoxy)-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamide 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/203235,2018,A1Locationinpatent:Page/Pagecolumn359

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:926241-24-9 Molecular Formula|926241-24-9 MDL|926241-24-9 SMILES|926241-24-9 (3-Trifluoromethyl-pyrazol-1-yl)-acetic acid