Piperaquine

HCID 178840868CAS 83764-65-2

Grundinformationen

Standard-SMILES
Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1
InChIKey
UCRHFBCYFMIWHC-UHFFFAOYSA-N
Summenformel
C29H32Cl2N6
Durchschnittliche Molmasse
535,5 g/mol

Überblick

Piperaquine is an aminoquinoline that is 1,3-di(piperazin-1-yl)propane in which the nitrogen at position 4 of each of the piperazine moieties is replaced by a 7-chloroquinolin-4-yl group. It has a role as an antimalarial. It is an organochlorine compound, an aminoquinoline and a N-arylpiperazine.

Namen und Bezeichner

Bevorzugter Name
Piperaquine
IUPAC
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline
Englischer Name
Piperaquine
Summenformel
C29H32Cl2N6
Molmasse
535.51058

Namen und Synonyme

piperaquine4085-31-8Piperaquinoline1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propaneQuinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis[7-chloro-A0HV2Q956Y7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinolineCHEBI:91231DTXSID00193825Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-Quinoline, 4,4'-(trimethylenedi-4,1-piperazinediyl)bis(7-chloro-1,3-bis[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propane
Weitere Namen anzeigen
Brn 0905079Piperaquine USP/EP/BPQuinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro- (9ci)
7-chloro-4-(4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl}piperazin-1-yl)quinoline7-chloro-4-(4-(3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propyl)piperazin-1-yl)quinoline1,3-bis(1-(7-chloro-4'-quinolyl)-4'-piperazinyl)propaneRefChem:174391Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-)DTXCID40116316Quinoline, 4,4'-(1,3-Propanediyldi-4,1-Piperazinediyl)Bis(7-Chloro)-4,4'-(propane-1,3-diyldipiperazine-4,1-diyl)bis(7-chloroquinoline)

Datenbank-Bezeichner

CAS
83764-65-2
ChEMBL
CHEMBL303933
ChEBI
CHEBI:91231
UNII
A0HV2Q956Y
Nikkaji
J126.229G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,6
Polarare Oberfläche (TPSA)
38,7 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
6
Schwere Atome
37

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
Human DrugsBreast Feeding; Lactation; Milk, Human; Anti-infective Agents; Antiparasitic Agents; Antimalarials; Antiprotozoal Agents

Physikochemische Eigenschaften

InChIKey
UCRHFBCYFMIWHC-UHFFFAOYSA-N
SMILES
N1=C2C(C=CC(Cl)=C2)=C(N2CCN(CCCN3CCN(C4=C5C(=NC=C4)C=C(Cl)C=C5)CC3)CC2)C=C1

Sicherheit und Regulatorisches

Toxikologische Informationen

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Chemie und Industrie

Pharmakologische Informationen

Protein BindingPiperaquine's binding to plasma proteins is considered to be virtually complete. It has been measured to be >99% in humans, rats, and dogs.
PharmacodynamicsPiperaquine inhibits the P. Falciparum parasite's haem detoxification pathway.
Mechanism of ActionThe mechanism of piperaquine inhibition of the haem detoxification pathway is unknown but is expected to be similar to that of [DB00608].
Biological Half-LifeThe terminal elimination half-life was observed to be 576h or 24 days. This is thought to be due to the extensive distribution of piperaquine.
Metabolism/Metabolites · 1 Eintrag

Piperaquine undergoes N-dealkylation, separating its aliphatic bridge from one of the nitrogen-containing rings. The resulting aldehyde is then oxidized to a carboxylic acid to form metabolite 1 (M1). The same nitrogen-containing rings can also undergo hydroxylation at one of two sites to form M3 or M4. M2 is formed via N-oxidation of one of the nitrogens in the quinoline groups at either side of the molecule. M5 results when both of these nitrogens are oxidized. M1 and M2 are the major metabolism products. Each of these metabolites were observed in the urine.

MeSH Pharmacological ClassificationAgents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)

Anbieter13 Anbieter

广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海皓之翔生物科技有限公司(原上海拓青化工有限公司)526763801 13301653310 · [email protected]

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