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Home Boronic Acids 957060-92-3
957060-92-3,MFCD09027254
Catalog No.:AA00IJAN

957060-92-3 | 3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl

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Purity
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Price(USD)
Quantity
  
1g
98%
in stock  
$253.00   $177.00
- +
5g
98%
in stock  
$976.00   $683.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IJAN
Chemical Name:
3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl
CAS Number:
957060-92-3
Molecular Formula:
C12H18BClN2O3
Molecular Weight:
284.5469
MDL Number:
MFCD09027254
SMILES:
CN1CCN(CC1)C(=O)c1cccc(c1)B(O)O.Cl
Properties
Computed Properties
 
Complexity:
293  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  

Downstream Synthesis Route

[1]Zhukov,Andrei;Andrews,StephenP.;Errey,JamesC.;Robertson,Nathan;Tehan,Benjamin;Mason,JonathanS.;Marshall,FionaH.;Weir,Malcolm;Congreve,Miles[JournalofMedicinalChemistry,2011,vol.54,#13,p.4312-4323]

[2]Langmead,ChristopherJ.;Andrews,StephenP.;Congreve,Miles;Errey,JamesC.;Hurrell,Edward;Marshall,FionaH.;Mason,JonathanS.;Richardson,ChristineM.;Robertson,Nathan;Zhukov,Andrei;Weir,Malcolm[JournalofMedicinalChemistry,2012,vol.55,#5,p.1904-1909]

64-18-6    957060-92-3   
4-bromo-N-alpha-(trans-4-(tert-butoxycarbonyl)aminomethyl}cyclohexyl)carbonyl-N-4-(1H-tetrazol-5-yl)phenyl-L-phenylalaninamide 
 
tert-butyl(trans-4-(2S)-3-{3'-(4-methylpiperazin-1-yl)carbonylbiphenyl-4-yl}-1-oxo-1-4-(1H-tetrazol-5-yl)phenylamino}propan-2-ylcarbamoyl}cyclohexyl)methylcarbamateformate 

[1]CurrentPatentAssignee:BAYERAG-US2016/237067,2016,A1Locationinpatent:Paragraph0512;0513;0514

Literature
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SDS
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Tags:957060-92-3 Molecular Formula|957060-92-3 MDL|957060-92-3 SMILES|957060-92-3 3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, HCl