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83747-30-2,MFCD03131298
Catalog No.:AA004WY9

83747-30-2 | 3-(1-Oxo-1,3-dihydro-2h-isoindol-2-yl)propanoic acid

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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:
AA004WY9
Chemical Name:
3-(1-Oxo-1,3-dihydro-2h-isoindol-2-yl)propanoic acid
CAS Number:
83747-30-2
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD03131298
SMILES:
OC(=O)CCN1Cc2c(C1=O)cccc2
Properties
Properties
 
BP:
447.9 °C at 760 mmHg  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
277  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.5  

Downstream Synthesis Route

[1]ChapmanJr.;Cocolas;Hall[JournalofMedicinalChemistry,1983,vol.26,#2,p.243-246]

[2]Locationinpatent:schemeortableKrysko,AndreiA.;Samoylenko,GeorgiyV.;Polishchuk,PavelG.;Andronati,SergeiA.;Kabanova,TatyanaA.;Khristova,TetianaM.;Kuz'Min,VictorE.;Kabanov,VladimirM.;Krysko,OlgaL.;Varnek,AlexandreA.;Grygorash,RuslanYa.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#19,p.5971-5974]

[3]Krysko,AndreiA.;Samoylenko,GeorgiyV.;Polishchuk,PavelG.;Fonari,MarinaS.;Kravtsov,VictorCh.;Andronati,SergeiA.;Kabanova,TatyanaA.;Lipkowski,Janusz;Khristova,TetianaM.;Kuz'Min,VictorE.;Kabanov,VladimirM.;Krysko,OlgaL.;Varnek,AlexandreA.[BioorganicandMedicinalChemistry,2013,vol.21,#15,p.4646-4661]

[1]Locationinpatent:schemeortableKrysko,AndreiA.;Samoylenko,GeorgiyV.;Polishchuk,PavelG.;Andronati,SergeiA.;Kabanova,TatyanaA.;Khristova,TetianaM.;Kuz'Min,VictorE.;Kabanov,VladimirM.;Krysko,OlgaL.;Varnek,AlexandreA.;Grygorash,RuslanYa.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#19,p.5971-5974]

[2]Krysko,AndreiA.;Samoylenko,GeorgiyV.;Polishchuk,PavelG.;Fonari,MarinaS.;Kravtsov,VictorCh.;Andronati,SergeiA.;Kabanova,TatyanaA.;Lipkowski,Janusz;Khristova,TetianaM.;Kuz'Min,VictorE.;Kabanov,VladimirM.;Krysko,OlgaL.;Varnek,AlexandreA.[BioorganicandMedicinalChemistry,2013,vol.21,#15,p.4646-4661]

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Identification and characterization of novel sirtuin inhibitor scaffolds.

Journal: Bioorganic & medicinal chemistry 20091001

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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Tags:83747-30-2 Molecular Formula|83747-30-2 MDL|83747-30-2 SMILES|83747-30-2 3-(1-Oxo-1,3-dihydro-2h-isoindol-2-yl)propanoic acid