StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
Huagongshe Open Project:[email protected]KI-Anbindung: llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.7.8
  1. Startseite
  2. /Verbindung

Cabozantinib

HCID 178955845
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
1802168-46-2
Standard-SMILES
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC
InChIKey
ONIQOQHATWINJY-UHFFFAOYSA-N
Summenformel
C28H24FN3O5
Durchschnittliche Molmasse
501,5 g/mol

Überblick

Cabozantinib is a dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is a member of quinolines, an aromatic ether, a dicarboxylic acid diamide and an organofluorine compound.

Namen und Bezeichner

Bevorzugter Name
Cabozantinib
IUPAC
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Englischer Name
Cabozantinib-d6
Summenformel
C28H24FN3O5
Molmasse
501.51

Namen und Synonyme

Cabozantinib849217-68-1XL-184XL 184BMS-907351XL-184 free baseBMS 907351N-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamideCHEBI:723171C39JW444GBMS-907351 FREE BASEXL184 cpd
Weitere Namen anzeigen
Cabozantinib-d6Cabozantinib bis(Trideuteromethoxy)Cabozantinib-d6Q: What is Cabozantinib-d6 Q: What is the CAS Number of Cabozantinib-d6
BMS907351DTXSID102339681,1-Cyclopropanedicarboxamide, N'-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4-fluorophenyl)-N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamidecabozantinibum1,1-CYCLOPROPANEDICARBOXAMIDE, N'-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N-(4-FLUOROPHENYL)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamideRefChem:57604

Datenbank-Bezeichner

CAS
1802168-46-2
ChEMBL
CHEMBL2105717
ChEBI
CHEBI:72317
UNII
1C39JW444G
Nikkaji
J3.085.595G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,4
Polarare Oberfläche (TPSA)
98,8 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
8
Schwere Atome
37
Formalladung
0
Komplexität
795

Experimentelle und physikochemische Eigenschaften

Drugs · 2 Einträge

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Antineoplastic and immunomodulating agents -> Antineoplastic agents

SolubilityCOMETRIQ is practically insoluble in water.
Human Drugs · 4 Einträge

Breast Feeding; Lactation; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors; Tyrosine Kinase Inhibitors;

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

EMA approved medicines: Human medicine (Orphan designations)

Physikochemische Eigenschaften

storage temp.
4 °C, · 4°C, protect from light
Löslichkeit
120 mg/mL · DMSO : 120 mg/mL (236.43 mM; Need ultrasonic)
Aggregatzustand
Solid
Farbe
White to off-white

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Toxikologische Informationen

Hepatotoxicity · 1 Eintrag

In large clinical trials of cabozantinib, elevations in serum aminotransferase levels were common, occurring in 16% to 97% of patients. Values greater than 5 times the upper limit of normal (ULN), however, occurred in only 2% to 8% of recipients. Serum alkaline phosphatase elevations were also common and were above 3 times ULN in 3% of patients. Despite the high rate of serum enzyme elevations, cases of clinically apparent liver injury including acute liver failure were not reported in the preregistration trials of cabozantinib. Since the approval of cabozantinib, there have been no published case reports of hepatotoxicity attributed to its use. Serum ALT, AST and alkaline phosphatase elevations are listed as adverse reactions in the product label for cabozantinib, and cholestatic hepatitis is mentioned as a rare occurrence, but monitoring of serum enzymes during treatment is not specifically recommended.

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 3 Einträge

L01XE26

L - Antineoplastic and immunomodulating agents

QL - Antineoplastic and immunomodulating agents

Protein BindingCabozantinib has extensive plasma protein binding (≥ 99.7%).
PharmacodynamicsCabozantinib suppresses metastasis, angiogenesis, and oncognesis by inhibiting receptor tyrosine kinases.
Mechanism of ActionCabozantinib inhibits specific receptor tyrosine kinases such as VEGFR-1, -2 and -3, KIT, TRKB, FLT-3, AXL, RET, MET, and TIE-2.
Biological Half-LifeCabozantinib has a long half-life of 55 hours.
Metabolism/MetabolitesCabozantinib is metabolized mostly by CYP3A4 and, to a minor extent, by CYP2C9. Both enzyme produce an N-oxide metabolite.
FDA Pharmacological Classification · 6 Einträge

1C39JW444G

CABOZANTINIB

Established Pharmacologic Class [EPC] - Kinase Inhibitor

Mechanisms of Action [MoA] - Protein Kinase Inhibitors

Cabozantinib is a Kinase Inhibitor. The mechanism of action of cabozantinib is as a Protein Kinase Inhibitor.

CABOZANTINIB

Absorption, Distribution and Excretion · 4 Einträge

After oral administration, peak plasma concentration was achieved in 2-5 hours.

Cabozantinib is eliminated mostly by the feces (54%) and also by the urine (27%).

The volume of distribution is 349L.

At steady state, the clearance is 4.4 L/hr.

Anwendungen · 1 Eintrag

VerwendenCabozantinib-d6 is the labelled analogue of Cabozantinib (X745500), a medication used to treat medullary thyroid cancer. As well it can be used in biological study. Computational network biological approach based on pathway cross-talk inhibition identified new synergistic drug combinations using raloxifene and cabozantinib for treatment of human breast cancer in xenograft mouse model. Potent c-MET inhibitor.

Anbieter10 Anbieter

艾吉析科技(上海)有限公司17717235263 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
大赛璐药物手性技术(上海)有限公司021-50460086-9 15921403865 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]
上海基度生物科技有限公司13851761812 · [email protected]

Zugehörige Reaktionen

0
Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung