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Home Amines 147118-39-6
147118-39-6,MFCD12755726
Catalog No.:AA001EK7

147118-39-6 | Methyl (+)-(3r)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6e)-heptenoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
98%
in stock  
$66.00   $46.00
- +
100mg
98%
in stock  
$205.00   $144.00
- +
1g
98%
in stock  
$615.00   $430.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001EK7
Chemical Name:
Methyl (+)-(3r)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6e)-heptenoate
CAS Number:
147118-39-6
Molecular Formula:
C23H28FN3O6S
Molecular Weight:
493.5483
MDL Number:
MFCD12755726
SMILES:
COC(=O)C[C@@H](CC(=O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C)O
Properties
Properties
 
BP:
701.7°C at 760 mmHg  
Form:
Solid  
MP:
103-107°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
823  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
11  
XLogP3:
1.9  

Upstream Synthesis Route

[1]Patent:WO2006/17357,2006,A1,.Locationinpatent:Page/Pagecolumn15

[2]Patent:WO2003/97614,2003,A2,.Locationinpatent:Page/Pagecolumn8;13

[3]Patent:CN104910078,2017,B,.Locationinpatent:Paragraph0012;0034;0038-0040;0046;0052;0058;0064

[4]BioorganicandMedicinalChemistry,1997,vol.5,#2,p.437-444

[5]Patent:WO2006/91771,2006,A2,.Locationinpatent:Page/Pagecolumn26

[6]Patent:WO2008/67440,2008,A2,.Locationinpatent:Page/Pagecolumn13-14

[7]Patent:WO2009/128091,2009,A2,.Locationinpatent:Page/Pagecolumn7-8

[8]Patent:EP2298745,2011,A1,.Locationinpatent:Page/Pagecolumn15

[9]Patent:WO2012/63115,2012,A2,.Locationinpatent:Page/Pagecolumn17

[10]Patent:CN104844525,2017,B,.Locationinpatent:Paragraph0033;0037;0038

[11]Patent:CN108586358,2018,A,.Locationinpatent:Paragraph0030;0033;0041;0049

[1]Patent:WO2011/141934,2011,A1,.Locationinpatent:Page/Pagecolumn17;18-19

[1]BioorganicandMedicinalChemistry,1997,vol.5,#2,p.437-444

[2]Patent:EP2298745,2011,A1,

[3]Patent:WO2012/63115,2012,A2,

[4]Patent:CN104844525,2017,B,

[5]Patent:CN108586358,2018,A,

[1]Patent:WO2011/141934,2011,A1,

[2]Patent:WO2011/141934,2011,A1,

[3]Patent:WO2011/141934,2011,A1,

[1]Patent:EP2298745,2011,A1,

[2]Patent:WO2012/63115,2012,A2,

[3]Patent:CN104844525,2017,B,

Downstream Synthesis Route

[1]Patent:WO2003/97614,2003,A2.Locationinpatent:Page/Pagecolumn8;13

[2]Patent:WO2006/17357,2006,A1.Locationinpatent:Page/Pagecolumn16

[3]BioorganicandMedicinalChemistry,1997,vol.5,p.437-444

[4]Patent:WO2009/128091,2009,A2.Locationinpatent:Page/Pagecolumn9

[5]Patent:WO2010/35284,2010,A2.Locationinpatent:Page/Pagecolumn8-9

[6]Patent:EP2298745,2011,A1.Locationinpatent:Page/Pagecolumn16;19

[7]Patent:WO2012/63115,2012,A2.Locationinpatent:Page/Pagecolumn17-18

[8]Patent:WO2012/176218,2012,A1.Locationinpatent:Page/Pagecolumn20-21

[9]Patent:KR2016/8026,2016,A.Locationinpatent:Paragraph0038;0039

[10]Patent:CN104230817,2016,B.Locationinpatent:Paragraph0047-0050

[11]Patent:CN108586358,2018,A.Locationinpatent:Paragraph0034;0042;0046;0050

[1]Patent:WO2006/17357,2006,A1.Locationinpatent:Page/Pagecolumn15

[2]Patent:WO2003/97614,2003,A2.Locationinpatent:Page/Pagecolumn8;13

[3]Patent:CN104910078,2017,B.Locationinpatent:Paragraph0012;0034;0038-0040;0046;0052;0058;0064

[4]BioorganicandMedicinalChemistry,1997,vol.5,p.437-444

[5]Patent:WO2006/91771,2006,A2.Locationinpatent:Page/Pagecolumn26

[6]Patent:WO2008/67440,2008,A2.Locationinpatent:Page/Pagecolumn13-14

[7]Patent:WO2009/128091,2009,A2.Locationinpatent:Page/Pagecolumn7-8

[8]Patent:EP2298745,2011,A1.Locationinpatent:Page/Pagecolumn15

[9]Patent:WO2012/63115,2012,A2.Locationinpatent:Page/Pagecolumn17

[10]Patent:CN104844525,2017,B.Locationinpatent:Paragraph0033;0037;0038

[11]Patent:CN108586358,2018,A.Locationinpatent:Paragraph0030;0033;0041;0049

459-57-4   
PhCH2CH2MgHal 
  147118-39-6 

[1]BioorganicandMedicinalChemistry,1997,vol.5,p.437-444

[1]BioorganicandMedicinalChemistry,1997,vol.5,p.437-444

[1]BioorganicandMedicinalChemistry,1997,vol.5,p.437-444

Literature
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SDS
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Tags:147118-39-6 Molecular Formula|147118-39-6 MDL|147118-39-6 SMILES|147118-39-6 Methyl (+)-(3r)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6e)-heptenoate