Tivantinib

HCID 11494412

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Grundinformationen

CAS: 1000873-98-2
Standard-SMILES: O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12
InChIKey: UCEQXRCJXIVODC-PMACEKPBSA-N
Summenformel: C23H19N3O2
Durchschnittliche Molmasse: 369,4 g/mol
Monoisotopische Masse: 369,14772685

Überblick

LSM-1131 is a member of indoles.

Namen und Bezeichner

Bevorzugter Name: Tivantinib
IUPAC: (3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
Englischer Name: (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
Summenformel: C23H19N3O2
Molmasse: 369.41586

Namen und Synonyme

Tivantinib905854-02-6ARQ-197(3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dioneARQ 197ARQ197PJ4H73IL17DTXSID60920316(3R,4R)-3-(5,6-Dihydro-4H-pyrrolo(3,2,1-ij)quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dionetivantinibumRefChem:898517c-Met Inhibitor ARQ 197

Weitere Namen anzeigen

DTXCID301349230(3R,4R)-3-(1-azatricyclo(6.3.1.0^(4,12))dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dioneTivantinib (ARQ 197)905853-99-8(rel)-Tivantinibrel-(3R,4R)-3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-2,5-pyrrolidinedioneMFCD119775971000873-98-2

Datenbank-Bezeichner

CAS: 1000873-98-2、905854-02-6
PubChem CID: 11494412
DTXSID: DTXSID60920316
ChEMBL: CHEMBL2103882
ChEBI: CHEBI:91398
UNII: PJ4H73IL17
EC Number: 805-160-2
Nikkaji: J3.496.311H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 66,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 28
Formalladung: 0
Komplexität: 666

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesRepr. 1B (100%)

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

Tivantinib mediates its effects by inhibiting the activity of c-Met, a receptor tyrosine kinase that plays multiple key roles in human cancer, including cancer cell growth, survival, angiogenesis, invasion and metastasis. C-Met is abnormally activated in most cancers and is believed to control multiple signal transduction pathways involved in tumor growth and metastasis.