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402958-96-7,MFCD11865138
Catalog No.:AA0037SX

402958-96-7 | (S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98+%
in stock  
$31.00   $22.00
- +
1g
98+%
in stock  
$42.00   $30.00
- +
5g
98+%
in stock  
$142.00   $99.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0037SX
Chemical Name:
(S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid
CAS Number:
402958-96-7
Molecular Formula:
C19H28N4O4
Molecular Weight:
376.4500
MDL Number:
MFCD11865138
SMILES:
O=C([C@H](C1CCCCC1)NC(=O)c1nccnc1)N[C@@H](C(C)(C)C)C(=O)O
Properties
Computed Properties
 
Complexity:
540  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Yip,Yvonne;Victor,Frantz;Lamar,Jason;Johnson,Robert;Wang,Q.May;Glass,JohnI.;Yumibe,Nathan;Wakulchik,Mark;Munroe,John;Chen,Shu-Hui[BioorganicandMedicinalChemistryLetters,2004,vol.14,#19,p.5007-5011]

[2]CurrentPatentAssignee:NOVARTISAG;Sandoz(in:Novartis)-WO2013/135870,2013,A1Locationinpatent:Page/Pagecolumn22

[1]Yip,Yvonne;Victor,Frantz;Lamar,Jason;Johnson,Robert;Wang,Q.May;Glass,JohnI.;Yumibe,Nathan;Wakulchik,Mark;Munroe,John;Chen,Shu-Hui[BioorganicandMedicinalChemistryLetters,2004,vol.14,#19,p.5007-5011]

[2]Znabet,Anass;Polak,MarloesM.;Janssen,Elwin;DeKanter,FransJ.J.;Turner,NicholasJ.;Orru,RomanoV.A.;Ruijter,Eelco[ChemicalCommunications,2010,vol.46,#42,p.7918-7920]

[3]CurrentPatentAssignee:VERENIGINGVOORCHRISTELIJKHOGERONDERWIJSWETENSCHAPPELIJKONDERZOEKENPATIENTENZORG-WO2011/103932,2011,A1Locationinpatent:Page/Pagecolumn45

[4]CurrentPatentAssignee:DIPHARMAFRANCISS.R.L.-WO2013/131978,2013,A1Locationinpatent:Page/Pagecolumn15;16

[5]Bondada,Lavanya;Rondla,Ramu;Pradere,Ugo;Liu,Peng;Li,Chengwei;Bobeck,Drew;McBrayer,Tamara;Tharnish,Philip;Courcambeck,Jerome;Halfon,Philippe;Whitaker,Tony;Amblard,Franck;Coats,StevenJ.;Schinazi,RaymondF.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#23,p.6325-6330]

[1]Yip,Yvonne;Victor,Frantz;Lamar,Jason;Johnson,Robert;Wang,Q.May;Glass,JohnI.;Yumibe,Nathan;Wakulchik,Mark;Munroe,John;Chen,Shu-Hui[BioorganicandMedicinalChemistryLetters,2004,vol.14,#19,p.5007-5011]

[1]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.5007-5011

[1]Yip,Yvonne;Victor,Frantz;Lamar,Jason;Johnson,Robert;Wang,Q.May;Glass,JohnI.;Yumibe,Nathan;Wakulchik,Mark;Munroe,John;Chen,Shu-Hui[BioorganicandMedicinalChemistryLetters,2004,vol.14,#19,p.5007-5011]

[2]Bondada,Lavanya;Rondla,Ramu;Pradere,Ugo;Liu,Peng;Li,Chengwei;Bobeck,Drew;McBrayer,Tamara;Tharnish,Philip;Courcambeck,Jerome;Halfon,Philippe;Whitaker,Tony;Amblard,Franck;Coats,StevenJ.;Schinazi,RaymondF.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#23,p.6325-6330]

Literature
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SDS
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Tags:402958-96-7 Molecular Formula|402958-96-7 MDL|402958-96-7 SMILES|402958-96-7 (S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid
Catalog No.: AA0037SX
402958-96-7,MFCD11865138
402958-96-7 | (S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid
Pack Size： 250mg
Purity： 98+%
in stock
$31.00 $22.00
Pack Size： 1g
Purity： 98+%
in stock
$42.00 $30.00
Pack Size： 5g
Purity： 98+%
in stock
$142.00 $99.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0037SX
Chemical Name: (S)-2-((S)-2-Cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoic acid
CAS Number: 402958-96-7
Molecular Formula: C19H28N4O4
Molecular Weight: 376.4500
MDL Number: MFCD11865138
SMILES: O=C([C@H](C1CCCCC1)NC(=O)c1nccnc1)N[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity: 540  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
402958-25-2    402958-96-7    402958-97-8 

[1]Yip,Yvonne;Victor,Frantz;Lamar,Jason;Johnson,Robert;Wang,Q.May;Glass,JohnI.;Yumibe,Nathan;Wakulchik,Mark;Munroe,John;Chen,Shu-Hui[BioorganicandMedicinalChemistryLetters,2004,vol.14,#19,p.5007-5011]

[2]CurrentPatentAssignee:NOVARTISAG;Sandoz(in:Novartis)-WO2013/135870,2013,A1Locationinpatent:Page/Pagecolumn22

402958-95-6    402958-96-7 

[1]Yip,Yvonne;Victor,Frantz;Lamar,Jason;Johnson,Robert;Wang,Q.May;Glass,JohnI.;Yumibe,Nathan;Wakulchik,Mark;Munroe,John;Chen,Shu-Hui[BioorganicandMedicinalChemistryLetters,2004,vol.14,#19,p.5007-5011]

[2]Znabet,Anass;Polak,MarloesM.;Janssen,Elwin;DeKanter,FransJ.J.;Turner,NicholasJ.;Orru,RomanoV.A.;Ruijter,Eelco[ChemicalCommunications,2010,vol.46,#42,p.7918-7920]

[3]CurrentPatentAssignee:VERENIGINGVOORCHRISTELIJKHOGERONDERWIJSWETENSCHAPPELIJKONDERZOEKENPATIENTENZORG-WO2011/103932,2011,A1Locationinpatent:Page/Pagecolumn45

[4]CurrentPatentAssignee:DIPHARMAFRANCISS.R.L.-WO2013/131978,2013,A1Locationinpatent:Page/Pagecolumn15;16

[5]Bondada,Lavanya;Rondla,Ramu;Pradere,Ugo;Liu,Peng;Li,Chengwei;Bobeck,Drew;McBrayer,Tamara;Tharnish,Philip;Courcambeck,Jerome;Halfon,Philippe;Whitaker,Tony;Amblard,Franck;Coats,StevenJ.;Schinazi,RaymondF.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#23,p.6325-6330]

98-97-5    402958-96-7 

[1]Yip,Yvonne;Victor,Frantz;Lamar,Jason;Johnson,Robert;Wang,Q.May;Glass,JohnI.;Yumibe,Nathan;Wakulchik,Mark;Munroe,John;Chen,Shu-Hui[BioorganicandMedicinalChemistryLetters,2004,vol.14,#19,p.5007-5011]

63038-27-7    402958-96-7 

[1]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.5007-5011

109183-71-3    402958-96-7 

[1]Yip,Yvonne;Victor,Frantz;Lamar,Jason;Johnson,Robert;Wang,Q.May;Glass,JohnI.;Yumibe,Nathan;Wakulchik,Mark;Munroe,John;Chen,Shu-Hui[BioorganicandMedicinalChemistryLetters,2004,vol.14,#19,p.5007-5011]

[2]Bondada,Lavanya;Rondla,Ramu;Pradere,Ugo;Liu,Peng;Li,Chengwei;Bobeck,Drew;McBrayer,Tamara;Tharnish,Philip;Courcambeck,Jerome;Halfon,Philippe;Whitaker,Tony;Amblard,Franck;Coats,StevenJ.;Schinazi,RaymondF.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#23,p.6325-6330]

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