22216-44-0,MFCD09971670
Catalog No.:AA006ZCY

22216-44-0 | 2-((4-Methoxy-3-nitrobenzyl)thio)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
2 weeks  
$157.00   $110.00
- +
250mg
95%
2 weeks  
$231.00   $162.00
- +
500mg
95%
2 weeks  
$365.00   $255.00
- +
1g
95%
2 weeks  
$515.00   $360.00
- +
2g
95%
2 weeks  
$912.00   $639.00
- +
5g
95%
2 weeks  
$1,436.00   $1,005.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006ZCY
Chemical Name:
2-((4-Methoxy-3-nitrobenzyl)thio)acetic acid
CAS Number:
22216-44-0
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
MDL Number:
MFCD09971670
SMILES:
COc1ccc(cc1[N+](=O)[O-])CCC(=S)O
Properties
Computed Properties
 
Complexity:
280  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Patent:WO2008/27049,2008,A1.Locationinpatent:Page/Pagecolumn30

[2]Patent:WO2008/33475,2008,A2.Locationinpatent:Page/Pagecolumn53

[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]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]

[1]JournalofMedicinalChemistry,2011,vol.54,p.6254-6276

[2]JournalofMedicinalChemistry,2020

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.3066-3069

[4]JournalofMedicinalChemistry,2014,vol.57,p.578-599

[1]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]

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

[3]CurrentPatentAssignee:SOUTHEASTUNIVERSITY-CN114539110,2022,A

Literature
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Additional Info:
SDS
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Tags:22216-44-0 Molecular Formula|22216-44-0 MDL|22216-44-0 SMILES|22216-44-0 2-((4-Methoxy-3-nitrobenzyl)thio)acetic acid
Catalog No.: AA006ZCY
22216-44-0,MFCD09971670
22216-44-0 | 2-((4-Methoxy-3-nitrobenzyl)thio)acetic acid
Pack Size: 100mg
Purity: 98%
2 weeks
$157.00 $110.00
Pack Size: 250mg
Purity: 95%
2 weeks
$231.00 $162.00
Pack Size: 500mg
Purity: 95%
2 weeks
$365.00 $255.00
Pack Size: 1g
Purity: 95%
2 weeks
$515.00 $360.00
Pack Size: 2g
Purity: 95%
2 weeks
$912.00 $639.00
Pack Size: 5g
Purity: 95%
2 weeks
$1,436.00 $1,005.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA006ZCY
Chemical Name: 2-((4-Methoxy-3-nitrobenzyl)thio)acetic acid
CAS Number: 22216-44-0
Molecular Formula: C10H11NO4S
Molecular Weight: 241.2636
MDL Number: MFCD09971670
SMILES: COc1ccc(cc1[N+](=O)[O-])CCC(=S)O
Properties
Complexity: 280  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
61010-34-2    367-51-1    22216-44-0 

[1]Patent:WO2008/27049,2008,A1.Locationinpatent:Page/Pagecolumn30

[2]Patent:WO2008/33475,2008,A2.Locationinpatent:Page/Pagecolumn53

22216-44-0    592542-51-3 

[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]

22216-44-0    592542-59-1 

[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]

61010-34-2    68-11-1    22216-44-0 

[1]JournalofMedicinalChemistry,2011,vol.54,p.6254-6276

[2]JournalofMedicinalChemistry,2020

[3]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.3066-3069

[4]JournalofMedicinalChemistry,2014,vol.57,p.578-599

41870-24-0    22216-44-0 

[1]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]

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

[3]CurrentPatentAssignee:SOUTHEASTUNIVERSITY-CN114539110,2022,A

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