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1193314-23-6,MFCD25976667
Catalog No.:AA000IJI

1193314-23-6 | Spiro[3h-indole-3,1'-[1h]pyrido[3,4-b]indol]-2(1h)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (1'r,3's)-

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1mg
≥98%
in stock  
$118.00   $82.00
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5mg
≥98%
in stock  
$518.00   $362.00
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10mg
≥98%
in stock  
$918.00   $642.00
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100mg
97%
in stock  
$3,557.00   $2,490.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000IJI
Chemical Name:
Spiro[3h-indole-3,1'-[1h]pyrido[3,4-b]indol]-2(1h)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (1'r,3's)-
CAS Number:
1193314-23-6
Molecular Formula:
C19H14Cl2FN3O
Molecular Weight:
390.2384
MDL Number:
MFCD25976667
SMILES:
C[C@H]1Cc2c3cc(F)c(cc3[nH]c2[C@@]2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl
Properties
Computed Properties
 
Complexity:
609  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
XLogP3:
3.9  

Literature

Title: Comparative chemical genomics reveal that the spiroindolone antimalarial KAE609 (Cipargamin) is a P-type ATPase inhibitor.

Journal: Scientific reports 20160101

Title: Open-label, single-dose, parallel-group study in healthy volunteers to determine the drug-drug interaction potential between KAE609 (cipargamin) and piperaquine.

Journal: Antimicrobial agents and chemotherapy 20150601

Title: Spiroindolone KAE609 for falciparum and vivax malaria.

Journal: The New England journal of medicine 20140731

Title: Spiroindolone that inhibits PfATPase4 is a potent, cidal inhibitor of Toxoplasma gondii tachyzoites in vitro and in vivo.

Journal: Antimicrobial agents and chemotherapy 20140301

Title: Na(+) regulation in the malaria parasite Plasmodium falciparum involves the cation ATPase PfATP4 and is a target of the spiroindolone antimalarials.

Journal: Cell host & microbe 20130213

Title: The spiroindolone drug candidate NITD609 potently inhibits gametocytogenesis and blocks Plasmodium falciparum transmission to anopheles mosquito vector.

Journal: Antimicrobial agents and chemotherapy 20120701

Title: Spiroindolones, a potent compound class for the treatment of malaria.

Journal: Science (New York, N.Y.) 20100903

Title: Spirotetrahydro beta-carbolines (spiroindolones): a new class of potent and orally efficacious compounds for the treatment of malaria.

Journal: Journal of medicinal chemistry 20100722

Title: Zhou Y, et al. Spiroindolone that inhibits PfATPase4 is a potent, cidal inhibitor of Toxoplasma gondii tachyzoites in vitro and in vivo. Antimicrob Agents Chemother. 2014;58(3):1789-92.

Title: van Pelt-Koops JC, et al. The spiroindolone drug candidate NITD609 potently inhibits gametocytogenesis and blocks Plasmodium falciparum transmission to anopheles mosquito vector. Antimicrob Agents Chemother. 2012 Jul;56(7):3544-8.

Title: Rottmann M, et al. Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.

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SDS
Tags:1193314-23-6 Molecular Formula|1193314-23-6 MDL|1193314-23-6 SMILES|1193314-23-6 Spiro[3h-indole-3,1'-[1h]pyrido[3,4-b]indol]-2(1h)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (1'r,3's)-