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105400-81-5,MFCD00215024
Catalog No.:AA007ELZ

105400-81-5 | (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$109.00   $77.00
- +
500mg
95%
in stock  
$181.00   $127.00
- +
1g
95%
in stock  
$245.00   $172.00
- +
5g
95%
in stock  
$978.00   $685.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007ELZ
Chemical Name:
(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid
CAS Number:
105400-81-5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD00215024
SMILES:
OC(=O)CC1NCCc2c1cccc2
Properties
Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-1.4  

Downstream Synthesis Route

[1]Pelletier,JeffreyC.;Cava,MichaelP.[JournalofOrganicChemistry,1987,vol.52,#4,p.616-622]

[2]Pelletier,JeffreyC.;Cava,MichaelP.[Synthesis,1987,#5,p.474-477]

[3]CurrentPatentAssignee:GruenenthalPharmaGmbH&Co.Kommanditgesellschaft-US2009/253669,2009,A1Locationinpatent:Page/Pagecolumn43

[4]CurrentPatentAssignee:GruenenthalPharmaGmbH&Co.Kommanditgesellschaft-US2008/312231,2008,A1Locationinpatent:Page/Pagecolumn36

[1]Patent:US2008/312231,2008,A1.Locationinpatent:Page/Pagecolumn36

[2]Patent:US2009/253669,2009,A1.Locationinpatent:Page/Pagecolumn43

[3]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.2341-2346

Literature

Title: Novel bradykinin-1 antagonists containing a (1,2,3,4-tetrahydro-isoquinolin-1-yl)acetic acid scaffold.

Journal: European journal of medicinal chemistry 20080701

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SDS
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Tags:105400-81-5 Molecular Formula|105400-81-5 MDL|105400-81-5 SMILES|105400-81-5 (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid