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Home Halogens 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)-

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 No.:
1193314-23-6
Catalog Number:
AG000IMA
Molecular Formula:
C19H14Cl2FN3O
Molecular Weight:
390.2384
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
98%
1 week
United States
$223
- +
5mg
98%
1 week
United States
$357
- +
10mg
98%
1 week
United States
$557
- +
50mg
98%
1 week
United States
$1557
- +
100mg
98%
1 week
United States
$2557
- +
Product Description
Catalog Number:
AG000IMA
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
IUPAC Name:
(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
InChI:
InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
InChI Key:
CKLPLPZSUQEDRT-WPCRTTGESA-N
SMILES:
C[C@H]1Cc2c3cc(F)c(cc3[nH]c2[C@@]2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl
UNII:
Z7Q4FWA04P
Properties
Complexity:
609  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
389.05g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
390.239g/mol
Monoisotopic Mass:
389.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Comparative chemical genomics reveal that the spiroindolone antimalarial KAE609 (Cipargamin) is a P-type ATPase inhibitor. Scientific reports 20160101
Open-label, single-dose, parallel-group study in healthy volunteers to determine the drug-drug interaction potential between KAE609 (cipargamin) and piperaquine. Antimicrobial agents and chemotherapy 20150601
Spiroindolone KAE609 for falciparum and vivax malaria. The New England journal of medicine 20140731
Spiroindolone that inhibits PfATPase4 is a potent, cidal inhibitor of Toxoplasma gondii tachyzoites in vitro and in vivo. Antimicrobial agents and chemotherapy 20140301
Na(+) regulation in the malaria parasite Plasmodium falciparum involves the cation ATPase PfATP4 and is a target of the spiroindolone antimalarials. Cell host & microbe 20130213
The spiroindolone drug candidate NITD609 potently inhibits gametocytogenesis and blocks Plasmodium falciparum transmission to anopheles mosquito vector. Antimicrobial agents and chemotherapy 20120701
Spiroindolones, a potent compound class for the treatment of malaria. Science (New York, N.Y.) 20100903
Spirotetrahydro beta-carbolines (spiroindolones): a new class of potent and orally efficacious compounds for the treatment of malaria. Journal of medicinal chemistry 20100722
Properties