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592542-51-3,MFCD04972549
Catalog No.:AA00EBNI

592542-51-3 | 2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$24.00   $17.00
- +
250mg
98%
in stock  
$39.00   $28.00
- +
1g
98%
in stock  
$99.00   $69.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EBNI
Chemical Name:
2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid
CAS Number:
592542-51-3
Molecular Formula:
C10H11NO7S
Molecular Weight:
289.2618
MDL Number:
MFCD04972549
SMILES:
COc1ccc(cc1[N+](=O)[O-])CS(=O)(=O)CC(=O)O
Properties
Properties
 
BP:
627.1°C at 760 mmHg  
Form:
Solid  
MP:
137-139℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
436  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
0.5  

Downstream Synthesis Route
592542-51-3    830-79-5   
(E)-2',4',6'-trimethoxystyryl-4-methoxy-3-nitrobenzylsulfone 

[1]CurrentPatentAssignee:COMMONWEALTHSYSTEMOFHIGHEREDUCATION-WO2017/23912,2017,A1Locationinpatent:Page/Pagecolumn42;53

[2]Locationinpatent:experimentalpartReddy,M.V.Ramana;Venkatapuram,Padmavathi;Mallireddigari,MuralidharR.;Pallela,VenkatR.;Cosenza,StephenC.;Robell,KimberlyA.;Akula,Balaiah;Hoffman,BenjaminS.;Reddy,E.Premkumar[JournalofMedicinalChemistry,2011,vol.54,#18,p.6254-6276]

[3]CurrentPatentAssignee:ONCONOVATHERAPEUTICS,INC.-WO2006/10152,2006,A2Locationinpatent:Page/Pagecolumn70

[4]CurrentPatentAssignee:ONCONOVATHERAPEUTICS,INC.-WO2008/88803,2008,A2Locationinpatent:Page/Pagecolumn72-73;2/2

[5]CurrentPatentAssignee:ONCONOVATHERAPEUTICS,INC.-WO2006/10152,2006,A2Locationinpatent:Page/Pagecolumn52-53

[6]CurrentPatentAssignee:ONCONOVATHERAPEUTICS,INC.-WO2008/88803,2008,A2Locationinpatent:Page/Pagecolumntitlepage;54-55;1/2

[7]CurrentPatentAssignee:ICAHNSCHOOLOFMEDICINEATMOUNTSINAI-WO2008/27049,2008,A1Locationinpatent:Page/Pagecolumn31

[8]CurrentPatentAssignee:ICAHNSCHOOLOFMEDICINEATMOUNTSINAI-WO2006/104668,2006,A2Locationinpatent:Page/Pagecolumn33

[9]CurrentPatentAssignee:ONCONOVATHERAPEUTICS,INC.-WO2008/33475,2008,A2Locationinpatent:Page/Pagecolumn53

[10]CurrentPatentAssignee:ICAHNSCHOOLOFMEDICINEATMOUNTSINAI-US2010/305059,2010,A1

[11]Locationinpatent:schemeortableChahrour,Osama;Abdalla,Ashraf;Lam,Frankie;Midgley,Carol;Wang,Shudong[BioorganicandMedicinalChemistryLetters,2011,vol.21,#10,p.3066-3069]

[1]Locationinpatent:schemeortableChahrour,Osama;Abdalla,Ashraf;Lam,Frankie;Midgley,Carol;Wang,Shudong[BioorganicandMedicinalChemistryLetters,2011,vol.21,#10,p.3066-3069]

[2]CurrentPatentAssignee:WUHANJIUZHOUYUMINPHARMACEUTICALTECH-CN110981770,2020,ALocationinpatent:Paragraph0048;0059-0066

[3]Liu,Zhikun;Wang,Meng;Wang,Hengshan;Fang,Lei;Gou,Shaohua[JournalofMedicinalChemistry,2020,vol.63,#1,p.186-204]

[4]CurrentPatentAssignee:SOUTHEASTUNIVERSITY-CN114539110,2022,ALocationinpatent:Paragraph0031;0051;0065-0068

[5]CurrentPatentAssignee:ICAHNSCHOOLOFMEDICINEATMOUNTSINAI-WO2008/27049,2008,A1Locationinpatent:Page/Pagecolumn30

[6]CurrentPatentAssignee:ICAHNSCHOOLOFMEDICINEATMOUNTSINAI-WO2006/104668,2006,A2Locationinpatent:Page/Pagecolumn33

[7]CurrentPatentAssignee:ONCONOVATHERAPEUTICS,INC.-WO2008/33475,2008,A2Locationinpatent:Page/Pagecolumn53

[8]Locationinpatent:schemeortableReddy,M.V.Ramana;Venkatapuram,Padmavathi;Mallireddigari,MuralidharR.;Pallela,VenkatR.;Cosenza,StephenC.;Robell,KimberlyA.;Akula,Balaiah;Hoffman,BenjaminS.;Reddy,E.Premkumar[JournalofMedicinalChemistry,2011,vol.54,#18,p.6254-6276]

[9]Reddy,M.V.Ramana;Akula,Balireddy;Cosenza,StephenC.;Athuluridivakar,Saikrishna;Mallireddigari,MuralidharR.;Pallela,VenkatR.;Billa,VinayK.;Subbaiah,D.R.C.Venkata;Bharathi,E.Vijaya;Vasquez-DelCarpio,Rodrigo;Padgaonkar,Amol;Baker,StaceyJ.;Reddy,E.Premkumar[JournalofMedicinalChemistry,2014,vol.57,#3,p.578-599]

[10]Liu,Shuchen;Peng,Tao;Sun,Yunbo;Wang,Gang;Wang,Lin;Wang,Tao;Wen,Xiaoxue;Zhang,Shouguo[ChemicalandPharmaceuticalBulletin,2020,vol.68,#5,p.443-446]

[1]CurrentPatentAssignee:ICAHNSCHOOLOFMEDICINEATMOUNTSINAI-US2010/305059,2010,A1

[1]Chahrour,Osama;Abdalla,Ashraf;Lam,Frankie;Midgley,Carol;Wang,Shudong[BioorganicandMedicinalChemistryLetters,2011,vol.21,#10,p.3066-3069]

[2]Reddy,M.V.Ramana;Venkatapuram,Padmavathi;Mallireddigari,MuralidharR.;Pallela,VenkatR.;Cosenza,StephenC.;Robell,KimberlyA.;Akula,Balaiah;Hoffman,BenjaminS.;Reddy,E.Premkumar[JournalofMedicinalChemistry,2011,vol.54,#18,p.6254-6276]

592542-51-3   
C16H16N2O6S 

[1]Chahrour,Osama;Abdalla,Ashraf;Lam,Frankie;Midgley,Carol;Wang,Shudong[BioorganicandMedicinalChemistryLetters,2011,vol.21,#10,p.3066-3069]

Literature
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Tags:592542-51-3 Molecular Formula|592542-51-3 MDL|592542-51-3 SMILES|592542-51-3 2-((4-Methoxy-3-nitrobenzyl)sulfonyl)acetic acid