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402958-98-9,MFCD19105536
Catalog No.:AA00I7TR

402958-98-9 | (1S,3Ar,6as)-2-((s)-2-((s)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$1,635.00   $1,144.00
- +
250mg
95%
in stock  
$3,222.00   $2,255.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I7TR
Chemical Name:
(1S,3Ar,6as)-2-((s)-2-((s)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid
CAS Number:
402958-98-9
Molecular Formula:
C27H39N5O5
Molecular Weight:
513.6291
MDL Number:
MFCD19105536
SMILES:
O=C([C@H](C1CCCCC1)NC(=O)c1nccnc1)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)CCC2
Properties
Computed Properties
 
Complexity:
868  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[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]CurrentPatentAssignee:NOVARTISAG;Sandoz(in:Novartis)-WO2013/135870,2013,A1

[3]CurrentPatentAssignee:NOVARTISAG;Sandoz(in:Novartis)-WO2013/135870,2013,A1

[4]CurrentPatentAssignee:NOVARTISAG;Sandoz(in:Novartis)-WO2013/135870,2013,A1

850252-34-5    402958-98-9   
(1S,3aR,6aS)-2-(2S)-2-(2S)-2-cyclohexyl-2-(2-pyrazinylcarbonyl)aminoacetylamino-3,3-dimethylbutanoyl-N-(1S)-1-(cyclopropylamino)(hydroxy)acetylbutyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopentacpyrrole-3-carboxamide 

[1]Patent:US2007/87973,2007,A1.Locationinpatent:Page/Pagecolumn49

[1]Patent:WO2013/135870,2013,A1

[1]CurrentPatentAssignee:NOVARTISAG;Sandoz(in:Novartis)-WO2013/135870,2013,A1

Literature
Quotation Request
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SDS
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Tags:402958-98-9 Molecular Formula|402958-98-9 MDL|402958-98-9 SMILES|402958-98-9 (1S,3Ar,6as)-2-((s)-2-((s)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid
Catalog No.: AA00I7TR
402958-98-9,MFCD19105536
402958-98-9 | (1S,3Ar,6as)-2-((s)-2-((s)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid
Pack Size： 100mg
Purity： 95%
in stock
$1,635.00 $1,144.00
Pack Size： 250mg
Purity： 95%
in stock
$3,222.00 $2,255.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I7TR
Chemical Name: (1S,3Ar,6as)-2-((s)-2-((s)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid
CAS Number: 402958-98-9
Molecular Formula: C27H39N5O5
Molecular Weight: 513.6291
MDL Number: MFCD19105536
SMILES: O=C([C@H](C1CCCCC1)NC(=O)c1nccnc1)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)CCC2
Properties
Complexity: 868  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 37  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
63038-27-7    402958-98-9 

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

402958-96-7    402958-98-9 

[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,A1

[3]CurrentPatentAssignee:NOVARTISAG;Sandoz(in:Novartis)-WO2013/135870,2013,A1

[4]CurrentPatentAssignee:NOVARTISAG;Sandoz(in:Novartis)-WO2013/135870,2013,A1

850252-34-5    402958-98-9   
(1S,3aR,6aS)-2-(2S)-2-(2S)-2-cyclohexyl-2-(2-pyrazinylcarbonyl)aminoacetylamino-3,3-dimethylbutanoyl-N-(1S)-1-(cyclopropylamino)(hydroxy)acetylbutyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopentacpyrrole-3-carboxamide 

[1]Patent:US2007/87973,2007,A1.Locationinpatent:Page/Pagecolumn49

1147103-42-1    402958-98-9 

[1]Patent:WO2013/135870,2013,A1

402960-19-4    402958-98-9    402957-28-2 

[1]CurrentPatentAssignee:NOVARTISAG;Sandoz(in:Novartis)-WO2013/135870,2013,A1

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