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170908-81-3,MFCD23381190
Catalog No.:AA00AS30

170908-81-3 | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester

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25mg
98%
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$211.00   $148.00
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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:
AA00AS30
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
CAS Number:
170908-81-3
Molecular Formula:
C20H31N5O10
Molecular Weight:
501.4876
MDL Number:
MFCD23381190
SMILES:
OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)ON1C(=O)CCC1=O
Properties
Computed Properties
 
Complexity:
774  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
10  
XLogP3:
-8.9  

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,2006,vol.128,p.15072-15073

[2]Patent:EP2740491,2014,A1.Locationinpatent:Paragraph0139;0140

[3]Patent:WO2014/86942,2014,A1.Locationinpatent:Page/Pagecolumn39

[4]Patent:US6838557,2005,B1.Locationinpatent:Pagecolumn10-11

[1]CurrentPatentAssignee:INSTITUTEOFPHYSICALANDCHEMICALRESEARCH(RIKEN);OSAKAUNIVERSITY-EP2128124,2009,A1Locationinpatent:Page/Pagecolumn98

[2]Tanaka,Katsunori;Masuyama,Tatsuro;Hasegawa,Koki;Tahara,Tsuyoshi;Mizuma,Hiroshi;Wada,Yasuhiro;Watanabe,Yasuyoshi;Fukase,Koichi[AngewandteChemie-InternationalEdition,2008,vol.47,#1,p.102-105]

[1]ScientiaPharmaceutica,2008,vol.76,p.151-170

[2]Journaloflabelledcompoundsandradiopharmaceuticals,2012,vol.55,p.103-107

[3]ChemicalCommunications,2013,vol.49,p.564-566

CASUnavailable 
  170908-81-3   
CASUnavailable 

[1]Locationinpatent:experimentalpartBanerjee,SangeetaRay;Pullambhatla,Mrudula;Byun,Youngjoo;Nimmagadda,Sridhar;Green,Gilbert;Fox,JamesJ.;Horti,Andrew;Mease,RonnieC.;Pomper,MartinG.[JournalofMedicinalChemistry,2010,vol.53,#14,p.5333-5341]

[2]CurrentPatentAssignee:THEJOHNSHOPKINSUNIVERSITY-WO2010/108125,2010,A2Locationinpatent:Page/Pagecolumn60-61

[1]CurrentPatentAssignee:TAGWORKSPHARMACEUTICALSBV-US2012/34161,2012,A1

Literature

Title: Hoppmann S, et al. Radiolabeled affibody-albumin bioconjugates for HER2-positive cancer targeting.Bioconjug Chem. 2011 Mar 16;22(3):413-2

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SDS
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Tags:170908-81-3 Molecular Formula|170908-81-3 MDL|170908-81-3 SMILES|170908-81-3 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester