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693228-63-6,MFCD14155805
Catalog No.:AA00FADD

693228-63-6 | CYC-116

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$32.00   $23.00
- +
5mg
98+%
in stock  
$54.00   $38.00
- +
10mg
98+%
in stock  
$70.00   $49.00
- +
50mg
98+%
in stock  
$117.00   $82.00
- +
250mg
98+%
in stock  
$303.00   $212.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00FADD
Chemical Name:
CYC-116
CAS Number:
693228-63-6
Molecular Formula:
C18H20N6OS
Molecular Weight:
368.4560
MDL Number:
MFCD14155805
SMILES:
Nc1nc(c(s1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1)C
Properties
Computed Properties
 
Complexity:
443  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:CYCLACELPHARMACEUTICALS,INC.-WO2007/132220,2007,A1Locationinpatent:Page/Pagecolumn43

[1]CurrentPatentAssignee:CYCLACELPHARMACEUTICALS,INC.-WO2004/43953,2004,A1Locationinpatent:Page50

507487-90-3    2524-67-6   
CASUnavailable 
  693228-63-6 

[1]Locationinpatent:experimentalpartWang,Shudong;Midgley,CarolA.;Scaërou,Frederic;Grabarek,JoannaB.;Griffiths,Gary;Jackson,Wayne;Kontopidis,George;McClue,StevenJ.;McInnes,Campbell;Meades,Christopher;Mezna,Mokdad;Plater,Andy;Stuart,Iain;Thomas,MarkP.;Wood,Gavin;Clarke,RosemaryG.;Blake,DavidG.;Zheleva,DaniellaI.;Lane,DavidP.;Jackson,RobertC.;Glover,DavidM.;Fischer,PeterM.[JournalofMedicinalChemistry,2010,vol.53,#11,p.4367-4378]

Literature

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Synthesis of novel thiazolyl-pyrimidines and their anticancer activity in vitro.

Journal: Archiv der Pharmazie 20111001

Title: An integrated pharmacokinetic-pharmacodynamic model for an Aurora kinase inhibitor.

Journal: Journal of pharmacokinetics and pharmacodynamics 20100801

Title: Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors.

Journal: Journal of medicinal chemistry 20100610

Title: Discovery and development of aurora kinase inhibitors as anticancer agents.

Journal: Journal of medicinal chemistry 20090514

Title: Wang S, et al. Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors. J Med Chem. 2010 Jun 10;53(11):4367-78.

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SDS
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Tags:693228-63-6 Molecular Formula|693228-63-6 MDL|693228-63-6 SMILES|693228-63-6 CYC-116
Catalog No.: AA00FADD
693228-63-6,MFCD14155805
693228-63-6 | CYC-116
Pack Size： 1mg
Purity： 98+%
in stock
$32.00 $23.00
Pack Size： 5mg
Purity： 98+%
in stock
$54.00 $38.00
Pack Size： 10mg
Purity： 98+%
in stock
$70.00 $49.00
Pack Size： 50mg
Purity： 98+%
in stock
$117.00 $82.00
Pack Size： 250mg
Purity： 98+%
in stock
$303.00 $212.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00FADD
Chemical Name: CYC-116
CAS Number: 693228-63-6
Molecular Formula: C18H20N6OS
Molecular Weight: 368.4560
MDL Number: MFCD14155805
SMILES: Nc1nc(c(s1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1)C
Properties
Complexity: 443  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
314268-63-8    1379432-89-9    693228-63-6 

[1]CurrentPatentAssignee:CYCLACELPHARMACEUTICALS,INC.-WO2007/132220,2007,A1Locationinpatent:Page/Pagecolumn43

507487-90-3    314268-63-8    693228-63-6 

[1]CurrentPatentAssignee:CYCLACELPHARMACEUTICALS,INC.-WO2004/43953,2004,A1Locationinpatent:Page50

507487-90-3    2524-67-6   
CASUnavailable 
  693228-63-6 

[1]Locationinpatent:experimentalpartWang,Shudong;Midgley,CarolA.;Scaërou,Frederic;Grabarek,JoannaB.;Griffiths,Gary;Jackson,Wayne;Kontopidis,George;McClue,StevenJ.;McInnes,Campbell;Meades,Christopher;Mezna,Mokdad;Plater,Andy;Stuart,Iain;Thomas,MarkP.;Wood,Gavin;Clarke,RosemaryG.;Blake,DavidG.;Zheleva,DaniellaI.;Lane,DavidP.;Jackson,RobertC.;Glover,DavidM.;Fischer,PeterM.[JournalofMedicinalChemistry,2010,vol.53,#11,p.4367-4378]

Literature fold

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters20130801

Title: Synthesis of novel thiazolyl-pyrimidines and their anticancer activity in vitro.

Journal: Archiv der Pharmazie20111001

Title: An integrated pharmacokinetic-pharmacodynamic model for an Aurora kinase inhibitor.

Journal: Journal of pharmacokinetics and pharmacodynamics20100801

Title: Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors.

Journal: Journal of medicinal chemistry20100610

Title: Discovery and development of aurora kinase inhibitors as anticancer agents.

Journal: Journal of medicinal chemistry20090514

Title: Wang S, et al. Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors. J Med Chem. 2010 Jun 10;53(11):4367-78.

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