Grundinformationen
- CAS
519-23-3- Standard-SMILES
Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12- InChIKey
CTSPAMFJBXKSOY-UHFFFAOYSA-N- Summenformel
- C17H14N2
- Durchschnittliche Molmasse
- 246,31 g/mol
- Monoisotopische Masse
- 246,11569845
Überblick
Ellipticine is a organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. It has a role as an antineoplastic agent and a plant metabolite. It is an organonitrogen heterocyclic compound, an organic heterotetracyclic compound, a polycyclic heteroarene and an indole alkaloid.
Namen und Bezeichner
- Bevorzugter Name
- Ellipticine
- IUPAC
- 5,11-dimethyl-6H-pyrido[4,3-b]carbazole
- Lokaler Name
- 5,11-Dimethyl-6H-pyrido[4,3-b]carbazol
- Englischer Name
- ELLIPTICINE
- Summenformel
- C17H14N2
- Molmasse
- 246.31
Namen und Synonyme
ellipticine519-23-35,11-Dimethyl-6H-pyrido[4,3-b]carbazoleElliptisineNSC 71795NSC-71795elliptecine5,11-Dimethyl-6H-pyrido(4,3-b)carbazole117VLW7484CHEBI:4776DTXSID30199855RefChem:136522
Weitere Namen anzeigen
K00071LP00531CS-1794icig770CP-3025CCG36483CCG 36483DB-052047CCG-36483LS-133282
DTXCID90122346208-264-0TCMDC-125546ICIG 770NSC71795MFCD00010524CHEMBL123MLS000028487
Datenbank-Bezeichner
- CAS
519-23-3- PubChem CID
- 3213
- DTXSID
DTXSID30199855- ChEMBL
CHEMBL123- ChEBI
CHEBI:4776- UNII
- 117VLW7484
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 28,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 342
Experimentelle und physikochemische Eigenschaften
LogP4.8
Physikochemische Eigenschaften
- Schmelzpunkt
- 316 · 316-318°C
- Siedepunkt
- 379.31 °C · 379.31°C (rough estimate)
- Dichte
- 1.257 · 1.257±0.06 g/cm3 (20 ºC 760 Torr)
- Brechungsindex
- 1.5794 · 1.5794 (estimate)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- Löslichkeit
- DMSO: soluble
- Aggregatzustand
- Bright yellow solid
- pka
- 16.59 · 16.59±0.40(Predicted)
- Farbe
- Light yellow to yellow
- Merck
- 13 · 13,3581
- InChI
- 1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
- InChIKey
- CTSPAMFJBXKSOY-UHFFFAOYSA-N
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3462 6.1/PG 3
- RTECS-Nr.
- UU8825000
- risk_code
- 25
- Toxizität
- LD50 in mice (mg/kg): 19.5-22.4 i.v.; 178-204 orally (Rakieten)
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Chemical agents that uncouple oxidation from phosphorylation in the metabolic cycle so that ATP synthesis does not occur. Included here are those IONOPHORES that disrupt electron transfer by short-circuiting the proton gradient across mitochondrial membranes.
Anwendungen
BeschreibungEllipticine is an alkaloid isolated from Apocyanaceae plants that exhibits antitumor activities by intercalating into DNA and/or inhibiting DNA topoisomerase II. It forms covalent adducts in DNA after being enzymatically activated with cytochrome P450 isoforms (e.g., CYP3A4, CYP1A1, or CYP1A2) or by peroxidases in target tissues. Ellipticine has been shown to inhibit the proliferation of human breast adenocarcinoma MCF-7 cells, leukemia HL-60 and CCRF-CEM cells, neuroblastoma IMR-32, UKF-NB-3, and UKF-NB-4 cells, and U87MG glioblastoma cells with IC50 values ranging from 0.27-4.7 μM.
Anbieter84 Anbieter
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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