Pixantrone

HCID 134019CAS 144510-96-3

Grundinformationen

Standard-SMILES
NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O
InChIKey
PEZPMAYDXJQYRV-UHFFFAOYSA-N
Summenformel
C17H19N5O2
Durchschnittliche Molmasse
325,4 g/mol
Monoisotopische Masse
325,15387485

Überblick

Pixantrone is a member of isoquinolines.

Namen und Bezeichner

Bevorzugter Name
Pixantrone
IUPAC
6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione
Englischer Name
Pixantrone
Summenformel
C17H19N5O2
Molmasse
325.37

Namen und Synonyme

Pixantrone144510-96-36,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione6,9-Aea-biqdoPixantronaF5SXN2KNMRBBR-27786,9-bis((2-aminoethyl)amino)benzo[g]isoquinoline-5,10-dioneBBR27786,9-Bis((2-aminoethyl)amino)benzo(g)isoquinoline-5,10-dione6,9-bis[(2-aminoethyl)amino]benzo[g]isoquinoline-5,10-dioneBenz[g]isoquinoline-5,10-dione, 6,9-bis[(2-aminoethyl)amino]-
Weitere Namen anzeigen
CS-1359Pixantrone, BBR 2778BBR 2778Pixantrone diformate salt6,9-Bis[(2-aminoethyl)amino]benz[g]isoquinoline-5,10-dione
DTXSID101627445,8-Bis((2-aminoethyl)amino)-2-aza-anthracene-9,10-dioneBenz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-pixantronum6,9-bis(2-aminoethylamino)benzo(g)isoquinoline-5,10-dioneRefChem:929364DTXCID1085235SID225144373

Datenbank-Bezeichner

CAS
144510-96-3、144675-97-8
PubChem CID
134019
DTXSID
DTXSID10162744
ChEMBL
CHEMBL167731
ChEBI
CHEBI:135945
UNII
F5SXN2KNMR
EC Number
680-661-5
Nikkaji
J580.321G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
123 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
6
Schwere Atome
24

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt
173 °C · >173°C (dec.)
Siedepunkt
650 · 650.0±55.0 °C(Predicted)
Dichte
1.405 · 1.405
storage temp.
Refrigerator
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
pka
9.34 · 9.34±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (50%): Fatal if swallowed [Danger Acute toxicity, oral]

P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P308+P316, P316, P318, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 2 (50%)

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

L - Antineoplastic and immunomodulating agents

QL - Antineoplastic and immunomodulating agents

Protein BindingAnthracyclines, which may be effective second line treatments for NHL have limited use in therapy because of cumulative cardiotoxicity which may result in irreversible damage to cardiac tissue. [2]
Pharmacodynamics · 1 Eintrag

Pixantrone has a wide range of antitumor activity, especially in terms of treating leukemias and lymphomas [3]. Pixantrone lacks cardio-toxic effects. It has postulated that his is because of its redox inactivity and lack and inhibition of doxorubicinol formation in human myocardium. [3]

Mechanism of Action · 1 Eintrag

Pixantrone is an aza-anthracenedione which acts as a DNA intercalator. By intercalating between DNA, with modest affinity, it stimulates DNA cleavage by topoisomerase II. (Pixantrone acts as a poison to topoisomerase II by stabilizing protein-DNA complexes which are usually transient, giving rise to double stranded DNA breaks.) However, pixantrone is believed to have additional mechanisms of action as its potency does not correlate to the degree of double stranded DNA breaks observed. It has been postulated that this second mechanism may be pixantrone-DNA adduct formation. [1] It is important to note that the formation of a pixtantrone-DNA adduct requires pixantrone activation by formaldehyde. Formadehyde may be generated in vitro by hydrogen peroxide, and is derived by various sources in biological systems. It is present in low levels as a result of normal metabolism, and may be present in elevated levels in some haematolgical malignancies. [1] The formation of pixantrone-DNA adducts is thus feasible, and it is believed that a long pixantrone-DNA adduct half life has the potential to maximize DNA damage. It may do so by enhancing the disruption of DNA replication and transcription, and potentially by encourage apoptosis. [1] In explanation of pixantrones lack of cardiotoxicity, it has been elucidated that pixantrone is structurally similar to mitoxantrone; however, instead of a 5,8-dihydroxyphenyl ring (thought to be responsible for cardiotoxicity) it has a nitrogen heteroatom. This nitrogen heteroatom helps to create additional hydrogen bonding sites amd increases pixantrone interaction with DNA and topoisomerase II. [2] Pixantrone's lack of a hydroquinone is believed to render it resistant to one electron reduction. In contrast, doxorubicin - which contains a hydroquinone - experiences one electron redox cycling and ROS formation via NADH dehydrogenase. [3] Pixantrone also does not bind iron, and thus does not produce ROS by redox cycling between oxidative states of iron, as other anthracyclines do. [2] The first line agent doxorubicin is cardiotoxic, in part, due to its ability to redox activate the superoxide anion and hydrogen peroxide, and form a long-lived secondary alcohol metabolite: doxorubicinol. [3] Clearance of doxorubicin from myocardial tissue is incomplete, and it can be found months or years after the last administration. [3] In doxorubicin treated ex vivo cardiac strips, pixantrone formed an N-dealkylated product that inhibited metabolism of residual doxorubicin into doxorubicinol. Additionally, in ex vivo human myocardial strips (doxorubicin naive, and doxorubicin pretreated) pixantrone showed high cardiac uptake without formation of superoxide anion or hydrogen peroxide. Pixantrones lack of cardiotoxicity is thus attributed to its redox inactivity and inhibition of doxorubicinol formation. [3]

Biological Half-LifeHalf life ranges from 14.7 to 31.9 hours.
Metabolism/Metabolites · 1 Eintrag

Pixantrone does not form secondary alcohol metabolites. [2] Pixantrone hydrolyzes extensively to CT-45886 which is believed to inhibit doxol formation by displacing DOX from the active site of reductases. CT4889 and CT-45890 are also formed.[3]

Anwendungen · 2 Einträge

BeschreibungIn May 2012, pixantrone was approved by the European Commission as a single agent for the treatment of relapsed or refractory aggressive B-cell non-Hodgkin lymphoma (NHL) in adult patients who have failed on at least two previous therapies. Pixantrone (also known as BBR- 2778) is an anthracycline analogue that was specifically designed to address the cardiotoxicity seen in earlier agents by replacement of a 1,4- dihydroxyanthracene-9,10-dione core with a benzoisoquinoline-5,10-dione ring system. Pixantrone inhibits topoisomerase II by intercalation with DNA and is also believed to form covalent adducts with the N-2 amino group of guanine via a formaldehyde aminal formed with the primary amino groups. Pixantrone is less cytotoxic than other anthracycline derivatives, but shows good antitumor activity in vivo in a variety of preclinical tumor models, including leukemia and lymphoma models. Pixantrone also demonstrated significantly reduced cardiotoxicity in preclinical models compared with the anthracyclines doxorubicin and mitroxantrone. Pixantrone was synthesized by Friedel–Crafts reaction of pyridine-3,4-dicarboxylic acid anhydride with 1,4-difluorobenzene to give a ketoacid that was cyclized to the tricyclic core by treatment with fuming sulfuric acid at 140℃. Reaction of the resulting 6,9-difluorobenzoisoquinoline-5-10-dione with ethylenediamine followed by careful pH adjustment and treatment with maleic acid gave pixantrone in good overall yield and purity.

VerwendenPixantrone is an antineoplastic drug belonging to group of antitumor antibiotics. Pixantrone is an anlogue of Mitoxantrone (M373425) and is just as potent in the treatment of multiple sclerosis with fewer toxic effects on cardiac tissue. Studies suggest that Pixantrone significantly reduces amyloid beta (A beta(1-42)) neurotoxicity, a mechanism implicated in Alzheimer's disease.

Anbieter50 Anbieter

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