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897732-93-3,MFCD25976734
Catalog No.:AA00GTY4

897732-93-3 | JNJ-38431055

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$37.00   $26.00
- +
5mg
98%
in stock  
$91.00   $64.00
- +
10mg
98%
in stock  
$119.00   $83.00
- +
25mg
98%
in stock  
$155.00   $109.00
- +
50mg
98%
in stock  
$201.00   $141.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GTY4
Chemical Name:
JNJ-38431055
CAS Number:
897732-93-3
Molecular Formula:
C21H29N5O6S
Molecular Weight:
479.5499
MDL Number:
MFCD25976734
SMILES:
COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C
Properties
Computed Properties
 
Complexity:
740  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route
897732-75-1    897732-25-1   
JNJ-38431055 

[1]Patent:US2006/155128,2006,A1.Locationinpatent:Page/Pagecolumn56

[2]Patent:WO2010/135505,2010,A2.Locationinpatent:Page/Pagecolumn32-33;34-36

[3]Patent:WO2010/135506,2010,A1.Locationinpatent:Page/Pagecolumn32;33

[1]CurrentPatentAssignee:PFIZERINC-US2006/155128,2006,A1Locationinpatent:Page/Pagecolumn56

832715-51-2    1224097-06-6   
JNJ-38431055 

[1]Patent:US2010/113479,2010,A1.Locationinpatent:Page/Pagecolumn33-34

[2]Patent:US2010/113480,2010,A1.Locationinpatent:Page/Pagecolumn34

Literature

Title: Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improved profile.

Journal: Bioorganic & medicinal chemistry letters 20120215

Title: Buzard DJ, et al. Discovery and optimization of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. Bioorg Med Chem Lett. 2014 Sep 1;24(17):4332-4335.

Title: Huan Y, et al. The dual DPP4 inhibitor and GPR119 agonist HBK001 regulates glycemic control and beta cell function ex and in vivo. Sci Rep. 2017 Jun 28;7(1):4351.

Title: Semple G, et al. Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improvedprofile. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1750-1755.

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SDS
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Tags:897732-93-3 Molecular Formula|897732-93-3 MDL|897732-93-3 SMILES|897732-93-3 JNJ-38431055
Catalog No.: AA00GTY4
897732-93-3,MFCD25976734
897732-93-3 | JNJ-38431055
Pack Size： 1mg
Purity： 98%
in stock
$37.00 $26.00
Pack Size： 5mg
Purity： 98%
in stock
$91.00 $64.00
Pack Size： 10mg
Purity： 98%
in stock
$119.00 $83.00
Pack Size： 25mg
Purity： 98%
in stock
$155.00 $109.00
Pack Size： 50mg
Purity： 98%
in stock
$201.00 $141.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00GTY4
Chemical Name: JNJ-38431055
CAS Number: 897732-93-3
Molecular Formula: C21H29N5O6S
Molecular Weight: 479.5499
MDL Number: MFCD25976734
SMILES: COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C
Properties
Complexity: 740  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 33  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
897732-75-1    897732-25-1   
JNJ-38431055 

[1]Patent:US2006/155128,2006,A1.Locationinpatent:Page/Pagecolumn56

[2]Patent:WO2010/135505,2010,A2.Locationinpatent:Page/Pagecolumn32-33;34-36

[3]Patent:WO2010/135506,2010,A1.Locationinpatent:Page/Pagecolumn32;33

897732-93-3    897732-74-0 

[1]CurrentPatentAssignee:PFIZERINC-US2006/155128,2006,A1Locationinpatent:Page/Pagecolumn56

832715-51-2    1224097-06-6   
JNJ-38431055 

[1]Patent:US2010/113479,2010,A1.Locationinpatent:Page/Pagecolumn33-34

[2]Patent:US2010/113480,2010,A1.Locationinpatent:Page/Pagecolumn34

Literature fold

Title: Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improved profile.

Journal: Bioorganic & medicinal chemistry letters20120215

Title: Buzard DJ, et al. Discovery and optimization of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. Bioorg Med Chem Lett. 2014 Sep 1;24(17):4332-4335.

Title: Huan Y, et al. The dual DPP4 inhibitor and GPR119 agonist HBK001 regulates glycemic control and beta cell function ex and in vivo. Sci Rep. 2017 Jun 28;7(1):4351.

Title: Semple G, et al. Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improvedprofile. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1750-1755.

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