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695215-94-2,MFCD09954475
Catalog No.:AA00FHLX

695215-94-2 | 3-(Methoxycarbonyl)-5-[methyl(methylsulphonyl)amino]benzoic acid

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100mg
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500mg
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  • Technical Information
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  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FHLX
Chemical Name:
3-(Methoxycarbonyl)-5-[methyl(methylsulphonyl)amino]benzoic acid
CAS Number:
695215-94-2
Molecular Formula:
C11H13NO6S
Molecular Weight:
287.2890
MDL Number:
MFCD09954475
SMILES:
COC(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)O
Properties
Computed Properties
 
Complexity:
454  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
0.4  

Downstream Synthesis Route

[1]Patent:US2010/144681,2010,A1.Locationinpatent:Page/Pagecolumn64

[2]JournalofMedicinalChemistry,2006,vol.49,p.7270-7273

[3]JournalofMedicinalChemistry,2004,vol.47,p.6447-6450

[4]Patent:US2007/142634,2007,A1.Locationinpatent:Page/Pagecolumn27

[5]Patent:WO2006/2004,2006,A1.Locationinpatent:Page/Pagecolumn34

[6]Patent:WO2005/103020,2005,A1.Locationinpatent:Page/Pagecolumn62-63

[1]Liu,Yanxia;Zhang,Wei;Li,Li;Salvador,LilibethA.;Chen,Tiantian;Chen,Wuyan;Felsenstein,KevinM.;Ladd,ThomasB.;Price,AshleighR.;Golde,ToddE.;He,Jianhua;Xu,Yechun;Li,Yingxia;Luesch,Hendrik[JournalofMedicinalChemistry,2012,vol.55,#23,p.10749-10765]

[2]CurrentPatentAssignee:KISO-WO2007/29587,2007,A1Locationinpatent:Page/Pagecolumn32-33

[3]Stachel,ShawnJ.;Coburn,CraigA.;Steele,ThomasG.;Jones,KristenG.;Loutzenhiser,ElizabethF.;Gregro,AlisonR.;Rajapakse,HemakaA.;Lai,Ming-Tain;Crouthamel,Ming-Chih;Xu,Min;Tugusheva,Katherine;Lineberger,JanetE.;Pietrak,BethL.;Espeseth,AmyS.;Shi,Xiao-Ping;Chen-Dodson,Elizabeth;Holloway,M.Katharine;Munshi,Sanjeev;Simon,AdamJ.;Kuo,Lawrence;Vacca,JosephP.[JournalofMedicinalChemistry,2004,vol.47,#26,p.6447-6450]

[4]Ghosh,ArunK.;Kumaragurubaran,Nagaswamy;Hong,Lin;Kulkarni,SarangS.;Xu,Xiaoming;Chang,Wanpin;Weerasena,Vajira;Turner,Robert;Koelsch,Gerald;Bilcer,Geoffrey;Tang,Jordan[JournalofMedicinalChemistry,2007,vol.50,#10,p.2399-2407]

[5]Locationinpatent:schemeortableSund,Christian;Belda,Oscar;Wiktelius,Daniel;Sahlberg,Christer;Vrang,Lotta;Sedig,Susanne;Hamelink,Elizabeth;Henderson,Ian;Agback,Tatiana;Jansson,Katarina;Borkakoti,Neera;Derbyshire,Dean;Eneroth,Anders;Samuelsson,Bertil[BioorganicandMedicinalChemistryLetters,2011,vol.21,#1,p.358-362]

[6]CurrentPatentAssignee:PURDUEUNIVERSITYSYSTEM;OKLAHOMAMEDICALRESEARCHFOUNDATION;COMENTIS,INC.;UNIVERSITYOFILLINOIS(SYSTEM)-WO2006/110668,2006,A1Locationinpatent:Page/Pagecolumn51-52

[7]Stachel,ShawnJ.;Coburn,CraigA.;Steele,ThomasG.;Crouthamel,Min-Chi;Pietrak,BethL.;Lai,Ming-Tain;Holloway,M.Katharine;Munshi,SanjeevK.;Graham,SamuelL.;Vacca,JosephP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.641-644]

[8]CurrentPatentAssignee:MEDIVIRAB-WO2008/135488,2008,A1Locationinpatent:Page/Pagecolumn52

[9]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US2010/144681,2010,A1Locationinpatent:Page/Pagecolumn63

[10]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US2010/168070,2010,A1Locationinpatent:Page/Pagecolumn46

[11]Lindsley,StaceyR.;Moore,KeithP.;Rajapakse,HemakaA.;Selnick,HaroldG.;Young,MaryBeth;Zhu,Hong;Munshi,Sanjeev;Kuo,Lawrence;McGaughey,GeorgiaB.;Colussi,Dennis;Crouthamel,Ming-Chih;Lai,Ming-Tain;Pietrak,Beth;Price,EricA.;Sankaranarayanan,Sethu;Simon,AdamJ.;Seabrook,GuyR.;Hazuda,DariaJ.;Pudvah,NicoleT.;Hochman,JeromeH.;Graham,SamuelL.;Vacca,JosephP.;Nantermet,PhilippeG.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#14,p.4057-4061]

[12]CurrentPatentAssignee:MERCK&COINC-WO2004/43916,2004,A1Locationinpatent:Page21

[13]CurrentPatentAssignee:MERCK&COINC-US2007/142634,2007,A1Locationinpatent:Page/Pagecolumn27

[14]CurrentPatentAssignee:SUNESISPHARMACEUTICALSINC-US2004/147454,2004,A1Locationinpatent:Page79-80

[15]CurrentPatentAssignee:MERCK&COINC-WO2005/51914,2005,A1Locationinpatent:Page/Pagecolumn40

[16]CurrentPatentAssignee:MERCK&COINC-WO2006/2004,2006,A1Locationinpatent:Page/Pagecolumn33

[17]CurrentPatentAssignee:MERCK&COINC-WO2006/55434,2006,A2Locationinpatent:Page/Pagecolumn57

[18]CurrentPatentAssignee:MERCK&COINC-WO2005/103020,2005,A1Locationinpatent:Page/Pagecolumn60

[19]CurrentPatentAssignee:MERCK&COINC-WO2005/32471,2005,A2Locationinpatent:Page/Pagecolumn24

[1]BioorganicandMedicinalChemistry,2012,vol.20,p.4377-4389

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Tags:695215-94-2 Molecular Formula|695215-94-2 MDL|695215-94-2 SMILES|695215-94-2 3-(Methoxycarbonyl)-5-[methyl(methylsulphonyl)amino]benzoic acid