Name: Name:FERROQUINE
Brand: Angene
SKU: AG00AMBO
Rating: 90 (10 reviews)

Catalog Number:

AG00AMBO

Chemical Name:

FERROQUINE

CAS Number:

185055-67-8

Molecular Formula:

C23H24ClFeN3

Molecular Weight:

433.7548

MDL Number:

MFCD09954121

IUPAC Name:

7-chloro-N-[[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methyl]quinolin-4-amine;cyclopenta-1,3-diene;iron(2+)

InChI:

InChI=1S/C18H19ClN3.C5H5.Fe/c1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;1-2-4-5-3-1;/h4,6-10H,5,11-12H2,1-2H3,(H,20,21);1-3H,4H2;/q2*-1;+2

InChI Key:

DLYPREQTTOHKSM-UHFFFAOYSA-N

SMILES:

CN(C[C]12=[CH]3[CH]4=[CH]5[C-]1(CNc1ccnc6c1ccc(c6)Cl)[Fe+2]16782345[CH-]2[CH]1=[CH]7[CH]8=[CH]62)C

Complexity:

597

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

433.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

433.761g/mol

Monoisotopic Mass:

433.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Title	Journal
Structural characterization and biological evaluation of a clioquinol-ruthenium complex with copper-independent antileukaemic activity.	Dalton transactions (Cambridge, England : 2003) 20140628
The antimalarial ferroquine: role of the metal and intramolecular hydrogen bond in activity and resistance.	ACS chemical biology 20110318
Phase I randomized dose-ascending placebo-controlled trials of ferroquine--a candidate anti-malarial drug--in adults with asymptomatic Plasmodium falciparum infection.	Malaria journal 20110101
Effects of the antimalarial drugs ferroquine and artesunate on Plasmodium yoelii yoelii gametocytegenesis and vectorial transmission.	Sante (Montrouge, France) 20110101
Synthesis and antimalarial activities of rhenium bioorganometallics based on the 4-aminoquinoline structure.	Bioorganic & medicinal chemistry 20101115
Enhancement of the antimalarial activity of ciprofloxacin using a double prodrug/bioorganometallic approach.	Journal of medicinal chemistry 20091224
Ferroquine, an ingenious antimalarial drug: thoughts on the mechanism of action.	Molecules (Basel, Switzerland) 20081120
Investigation of the redox behavior of ferroquine, a new antimalarial.	Molecular pharmaceutics 20080101
Design, synthesis, and antimalarial activity of structural chimeras of thiosemicarbazone and ferroquine analogues.	Bioorganic & medicinal chemistry letters 20071201
In vitro activity of ferroquine (SSR 97193) against Plasmodium falciparum isolates from the Thai-Burmese border.	Malaria journal 20070101
In vitro activity of ferroquine (SAR97193) is independent of chloroquine resistance in Plasmodium falciparum.	The American journal of tropical medicine and hygiene 20061201
Probing the role of the covalent linkage of ferrocene into a chloroquine template.	Journal of medicinal chemistry 20060727
In vitro metabolism of ferroquine (SSR97193) in animal and human hepatic models and antimalarial activity of major metabolites on Plasmodium falciparum.	Drug metabolism and disposition: the biological fate of chemicals 20060401
Assessment of Plasmodium falciparum resistance to ferroquine (SSR97193) in field isolates and in W2 strain under pressure.	Malaria journal 20060101
Insights into the mechanism of action of ferroquine. Relationship between physicochemical properties and antiplasmodial activity.	Molecular pharmaceutics 20050101
Synthesis and antimalarial activity in vitro and in vivo of a new ferrocene-chloroquine analogue.	Journal of medicinal chemistry 19971107