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1513879-19-0,MFCD28963927
Catalog No.:AA01EO6D

1513879-19-0 | KDU691

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$85.00   $59.00
- +
5mg
≥98%
in stock  
$263.00   $184.00
- +
10mg
≥98%
in stock  
$480.00   $336.00
- +
25mg
≥98%
in stock  
$999.00   $699.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EO6D
Chemical Name:
KDU691
CAS Number:
1513879-19-0
Molecular Formula:
C22H18ClN5O2
Molecular Weight:
419.8636
MDL Number:
MFCD28963927
SMILES:
CNC(=O)c1ccc(cc1)c1cnc2n1cc(nc2)C(=O)N(c1ccc(cc1)Cl)C
Properties
Computed Properties
 
Complexity:
619  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.6  

Downstream Synthesis Route

[1]Patent:WO2014/78813,2014,A1

[2]ACSMedicinalChemistryLetters,2014,vol.5,p.947-950

4-(methylcarbamoyl)phenylboronicacid 
  1607830-47-6    1513879-19-0 

[1]Zou,Bin;Nagle,Advait;Chatterjee,ArnabK.;Leong,SehYong;Tan,LiyingJocelyn;Sim,WeiLinSandra;Mishra,Pranab;Guntapalli,Prasuna;Tully,DavidC.;Lakshminarayana,SureshB.;Lim,ChekShik;Tan,YongCheng;Abas,SitiNurdiana;Bodenreider,Christophe;Kuhen,KelliL.;Gagaring,Kerstin;Borboa,Rachel;Chang,Jonathan;Li,Chun;Hollenbeck,Thomas;Tuntland,Tove;Zeeman,Anne-Marie;Kocken,ClemensH.M.;McNamara,Case;Kato,Nobutaka;Winzeler,ElizabethA.;Yeung,BryanK.S.;Diagana,ThierryT.;Smith,PaulW.;Roland,Jason[ACSMedicinalChemistryLetters,2014,vol.5,#8,p.947-950]

[2]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/78813,2014,A1Locationinpatent:Page/Pagecolumn215

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/78813,2014,A1

[2]Zou,Bin;Nagle,Advait;Chatterjee,ArnabK.;Leong,SehYong;Tan,LiyingJocelyn;Sim,WeiLinSandra;Mishra,Pranab;Guntapalli,Prasuna;Tully,DavidC.;Lakshminarayana,SureshB.;Lim,ChekShik;Tan,YongCheng;Abas,SitiNurdiana;Bodenreider,Christophe;Kuhen,KelliL.;Gagaring,Kerstin;Borboa,Rachel;Chang,Jonathan;Li,Chun;Hollenbeck,Thomas;Tuntland,Tove;Zeeman,Anne-Marie;Kocken,ClemensH.M.;McNamara,Case;Kato,Nobutaka;Winzeler,ElizabethA.;Yeung,BryanK.S.;Diagana,ThierryT.;Smith,PaulW.;Roland,Jason[ACSMedicinalChemistryLetters,2014,vol.5,#8,p.947-950]

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/78813,2014,A1

[2]Zou,Bin;Nagle,Advait;Chatterjee,ArnabK.;Leong,SehYong;Tan,LiyingJocelyn;Sim,WeiLinSandra;Mishra,Pranab;Guntapalli,Prasuna;Tully,DavidC.;Lakshminarayana,SureshB.;Lim,ChekShik;Tan,YongCheng;Abas,SitiNurdiana;Bodenreider,Christophe;Kuhen,KelliL.;Gagaring,Kerstin;Borboa,Rachel;Chang,Jonathan;Li,Chun;Hollenbeck,Thomas;Tuntland,Tove;Zeeman,Anne-Marie;Kocken,ClemensH.M.;McNamara,Case;Kato,Nobutaka;Winzeler,ElizabethA.;Yeung,BryanK.S.;Diagana,ThierryT.;Smith,PaulW.;Roland,Jason[ACSMedicinalChemistryLetters,2014,vol.5,#8,p.947-950]

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/78813,2014,A1

[2]Zou,Bin;Nagle,Advait;Chatterjee,ArnabK.;Leong,SehYong;Tan,LiyingJocelyn;Sim,WeiLinSandra;Mishra,Pranab;Guntapalli,Prasuna;Tully,DavidC.;Lakshminarayana,SureshB.;Lim,ChekShik;Tan,YongCheng;Abas,SitiNurdiana;Bodenreider,Christophe;Kuhen,KelliL.;Gagaring,Kerstin;Borboa,Rachel;Chang,Jonathan;Li,Chun;Hollenbeck,Thomas;Tuntland,Tove;Zeeman,Anne-Marie;Kocken,ClemensH.M.;McNamara,Case;Kato,Nobutaka;Winzeler,ElizabethA.;Yeung,BryanK.S.;Diagana,ThierryT.;Smith,PaulW.;Roland,Jason[ACSMedicinalChemistryLetters,2014,vol.5,#8,p.947-950]

Literature

Title: Dembele L, et al. The Plasmodium PI(4)K inhibitor KDU691 selectively inhibits dihydroartemisinin-pretreated Plasmodium falciparum ring-stage parasites. Sci Rep. 2017;7(1):2325. Published 2017 May 24.

Title: Zeeman AM, et al. PI4 Kinase Is a Prophylactic but Not Radical Curative Target in Plasmodium vivax-Type Malaria Parasites. Antimicrob Agents Chemother. 2016;60(5):2858-2863. Published 2016 Apr 22.

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SDS
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Tags:1513879-19-0 Molecular Formula|1513879-19-0 MDL|1513879-19-0 SMILES|1513879-19-0 KDU691
Catalog No.: AA01EO6D
1513879-19-0,MFCD28963927
1513879-19-0 | KDU691
Pack Size： 1mg
Purity： ≥98%
in stock
$85.00 $59.00
Pack Size： 5mg
Purity： ≥98%
in stock
$263.00 $184.00
Pack Size： 10mg
Purity： ≥98%
in stock
$480.00 $336.00
Pack Size： 25mg
Purity： ≥98%
in stock
$999.00 $699.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01EO6D
Chemical Name: KDU691
CAS Number: 1513879-19-0
Molecular Formula: C22H18ClN5O2
Molecular Weight: 419.8636
MDL Number: MFCD28963927
SMILES: CNC(=O)c1ccc(cc1)c1cnc2n1cc(nc2)C(=O)N(c1ccc(cc1)Cl)C
Properties
Complexity: 619  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 30  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.6  
Downstream Synthesis Route
54013-06-8    1513879-19-0 

[1]Patent:WO2014/78813,2014,A1

[2]ACSMedicinalChemistryLetters,2014,vol.5,p.947-950

4-(methylcarbamoyl)phenylboronicacid 
  1607830-47-6    1513879-19-0 

[1]Zou,Bin;Nagle,Advait;Chatterjee,ArnabK.;Leong,SehYong;Tan,LiyingJocelyn;Sim,WeiLinSandra;Mishra,Pranab;Guntapalli,Prasuna;Tully,DavidC.;Lakshminarayana,SureshB.;Lim,ChekShik;Tan,YongCheng;Abas,SitiNurdiana;Bodenreider,Christophe;Kuhen,KelliL.;Gagaring,Kerstin;Borboa,Rachel;Chang,Jonathan;Li,Chun;Hollenbeck,Thomas;Tuntland,Tove;Zeeman,Anne-Marie;Kocken,ClemensH.M.;McNamara,Case;Kato,Nobutaka;Winzeler,ElizabethA.;Yeung,BryanK.S.;Diagana,ThierryT.;Smith,PaulW.;Roland,Jason[ACSMedicinalChemistryLetters,2014,vol.5,#8,p.947-950]

[2]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/78813,2014,A1Locationinpatent:Page/Pagecolumn215

588720-67-6    1513879-19-0 

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/78813,2014,A1

[2]Zou,Bin;Nagle,Advait;Chatterjee,ArnabK.;Leong,SehYong;Tan,LiyingJocelyn;Sim,WeiLinSandra;Mishra,Pranab;Guntapalli,Prasuna;Tully,DavidC.;Lakshminarayana,SureshB.;Lim,ChekShik;Tan,YongCheng;Abas,SitiNurdiana;Bodenreider,Christophe;Kuhen,KelliL.;Gagaring,Kerstin;Borboa,Rachel;Chang,Jonathan;Li,Chun;Hollenbeck,Thomas;Tuntland,Tove;Zeeman,Anne-Marie;Kocken,ClemensH.M.;McNamara,Case;Kato,Nobutaka;Winzeler,ElizabethA.;Yeung,BryanK.S.;Diagana,ThierryT.;Smith,PaulW.;Roland,Jason[ACSMedicinalChemistryLetters,2014,vol.5,#8,p.947-950]

1607829-61-7    1513879-19-0 

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/78813,2014,A1

[2]Zou,Bin;Nagle,Advait;Chatterjee,ArnabK.;Leong,SehYong;Tan,LiyingJocelyn;Sim,WeiLinSandra;Mishra,Pranab;Guntapalli,Prasuna;Tully,DavidC.;Lakshminarayana,SureshB.;Lim,ChekShik;Tan,YongCheng;Abas,SitiNurdiana;Bodenreider,Christophe;Kuhen,KelliL.;Gagaring,Kerstin;Borboa,Rachel;Chang,Jonathan;Li,Chun;Hollenbeck,Thomas;Tuntland,Tove;Zeeman,Anne-Marie;Kocken,ClemensH.M.;McNamara,Case;Kato,Nobutaka;Winzeler,ElizabethA.;Yeung,BryanK.S.;Diagana,ThierryT.;Smith,PaulW.;Roland,Jason[ACSMedicinalChemistryLetters,2014,vol.5,#8,p.947-950]

1234015-04-3    1513879-19-0 

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2014/78813,2014,A1

[2]Zou,Bin;Nagle,Advait;Chatterjee,ArnabK.;Leong,SehYong;Tan,LiyingJocelyn;Sim,WeiLinSandra;Mishra,Pranab;Guntapalli,Prasuna;Tully,DavidC.;Lakshminarayana,SureshB.;Lim,ChekShik;Tan,YongCheng;Abas,SitiNurdiana;Bodenreider,Christophe;Kuhen,KelliL.;Gagaring,Kerstin;Borboa,Rachel;Chang,Jonathan;Li,Chun;Hollenbeck,Thomas;Tuntland,Tove;Zeeman,Anne-Marie;Kocken,ClemensH.M.;McNamara,Case;Kato,Nobutaka;Winzeler,ElizabethA.;Yeung,BryanK.S.;Diagana,ThierryT.;Smith,PaulW.;Roland,Jason[ACSMedicinalChemistryLetters,2014,vol.5,#8,p.947-950]

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