US2010069675A1PendingUtilityA1

Synthesis of [1-13c]pyruvic acid], [2-13c]pyruvic acid], [3-13c]pyruvic acid] and combinations thereof

Assignee: LOS ALAMOS NAT SECURITY LLCPriority: Feb 7, 2005Filed: Sep 1, 2009Published: Mar 18, 2010
Est. expiryFeb 7, 2025(expired)· nominal 20-yr term from priority
C07C 317/24C07C 69/716Y10T436/200833C07C 235/80C07C 59/347C07C 317/46C07B 2200/05C07B 59/001
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Claims

Abstract

The present invention is directed to the labeled compounds, wherein C* is each either 13 C and 12 C where at least one C* is 13 C, each hydrogen of the methylene group is hydrogen or deuterium, the methyl group includes either zero or three deuterium atoms, Q is sulfide, sulfinyl, or sulfone, Z is an aryl group such as 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, or a phenyl group wherein R 1 , R 2 , R 3 , R 4 and R 5 are each independently either hydrogen, a C 1 -C 4 lower alkyl, a halogen, and an amino group such as NH 2 , NHR and NRR′ where R and R′ are each independently either a C 1 -C 4 lower alkyl, a phenyl, and an alkoxy group, and the methyl group can include either zero or three deuterium atoms. The present invention is also directed to the labeled compounds

Claims

exact text as granted — not AI-modified
1 - 5 . (canceled) 
   
   
       6 . A labeled compound of the formula 
     
       
         
         
             
             
         
       
       wherein C* is each independently selected from the group consisting of  13 C and  12 C with the proviso that at least one C* is  13 C, the methyl group includes either zero or three deuterium atoms, Q is selected from the group consisting of sulfide, sulfinyl, and sulfone, and Z is an aryl group selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure 
     
     
       
         
         
             
             
         
       
       wherein R 1 , R 2 , R 3 , R 4  and R 5  are each independently selected from the group consisting of hydrogen, a C 1 -C 4  lower alkyl, a halogen, and an amino group from the group consisting of NH 2 , NHR and NRR′ where R and R′ are each independently selected from the group consisting of a C 1 -C 4  lower alkyl, a phenyl, and an alkoxy group. 
     
   
   
       7 . The compound of  claim 6  wherein Z is selected from the group consisting of phenyl groups with the structure 
     
       
         
         
             
             
         
       
       wherein R 1 , R 2 , R 3 , R 4  and R 5  are each independently selected from the group consisting of hydrogen, a C 1 -C 4  lower alkyl, a halogen, and an amino group from the group consisting of NH 2 , NHR and NRR′ where R and R′ are each independently selected from the group consisting of a C 1 -C 4  lower alkyl, a phenyl, and an alkoxy group. 
     
   
   
       8 . The compound of  claim 6  wherein Z is phenyl. 
   
   
       9 . A labeled compound of the formula 
     
       
         
         
             
             
         
       
       wherein C* is each independently selected from the group consisting of  13 C and  12 C with the proviso that at least one C* is  13 C, the methylene group includes zero or one deuterium atom, the methyl group includes either zero or three deuterium atoms, Q is selected from the group consisting of sulfide, sulfinyl, and sulfone, and Z is an aryl group selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure 
     
     
       
         
         
             
             
         
       
       wherein R 1 , R 2 , R 3 , R 4  and R 5  are each independently selected from the group consisting of hydrogen, a C 1 -C 4  lower alkyl, a halogen, and an amino group from the group consisting of NH 2 , NHR and NRR′ where R and R′ are each independently selected from the group consisting of a C 1 -C 4  lower alkyl, a phenyl, and an alkoxy group. 
     
   
   
       10 . The compound of  claim 9  wherein Z is selected from the group consisting of phenyl groups with the structure 
     
       
         
         
             
             
         
       
       wherein R 1 , R 2 , R 3 , R 4  and R 5  are each independently selected from the group consisting of hydrogen, a C 1 -C 4  lower alkyl, a halogen, and an amino group from the group consisting of NH 2 , NHR and NRR′ where R and R′ are each independently selected from the group consisting of a C 1 -C 4  lower alkyl, a phenyl, and an alkoxy group. 
     
   
   
       11 . The compound of  claim 9  wherein Z is phenyl. 
   
   
       12 - 14 . (canceled) 
   
   
       15 . A labeled compound of the formula 
     
       
         
         
             
             
         
       
       where X is selected from the group consisting of —NR 6 R 7  and —OR 8  where R 6  and R 7  are each independently selected from the group of C 1 -C 4  lower alkyl, alkoxy and aryl and R 8  is selected from the group of C 1 -C 4  lower alkyl, alkoxy and aryl, J is selected from the group consisting of —CH(OH)—CH 2 —S—R 9 , —CH(OH)—CH 2 —S(O)—R 9 , and —CH(OH)—CH 2 —(O)S(O)—R 9  where R 9  is an aryl group selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure 
     
     
       
         
         
             
             
         
       
       wherein R 1 , R 2 , R 3 , R 4  and R 5  are each independently selected from the group consisting of hydrogen, a C 1 -C 4  lower alkyl, a halogen, and an amino group from the group consisting of NH 2 , NHR and NRR′ where R and R′ are each independently selected from the group consisting of a C 1 -C 4  lower alkyl, a phenyl, and an alkoxy group, and C* are each independently selected from the group consisting of  13 C and  12 C with the proviso that at least one C* is  13 C. 
     
   
   
       16 . The compound of  claim 15  wherein said R 9  is selected from the group consisting of phenyl groups with the structure 
     
       
         
         
             
             
         
       
       wherein R 1 , R 2 , R 3 , R 4  and R 5  are each independently selected from the group consisting of hydrogen, a C 1 -C 4  lower alkyl, a halogen, and an amino group from the group consisting of NH 2 , NHR and NRR′ where R and R′ are each a C 1 -C 4  lower alkyl, a phenyl, or an alkoxy group. 
     
   
   
       17 . The compound of  claim 15  wherein said R 9  is phenyl.

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