Kenpaullone

HCID 3820CAS 142273-20-9
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Grundinformationen

Standard-SMILES
O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1
InChIKey
QQUXFYAWXPMDOE-UHFFFAOYSA-N
Summenformel
C16H11BrN2O
Durchschnittliche Molmasse
327,17 g/mol
Monoisotopische Masse
326,00547507

Überblick

Kenpaullone is an indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). It has a role as a geroprotector, a cardioprotective agent, an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is an indolobenzazepine, a lactam and an organobromine compound. It is functionally related to a paullone.

Namen und Bezeichner

Bevorzugter Name
Kenpaullone
IUPAC
9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
Englischer Name
KENPAULLONE
Summenformel
C16H11BrN2O
Molmasse
327.18

Namen und Synonyme

kenpaullone142273-20-99-Bromopaullone9-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-oneNSC-664704NSC 6647049-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-oneT72H2BL53PCHEBI:92658DTXSID1016199414-bromo-8,18-diazatetracyclo(9.7.0.0^(2,7).0^(12,17))octadeca-1(11),2,4,6,12,14,16-heptaen-9-one14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one
Weitere Namen anzeigen
KenpaullonCS-498KenpauLKenpaullone>9-BroMopaulloneNSC-664704(Kenpaullone)Kenpaullone Kenpaullone
RefChem:151101DTXCID50844859-bromo-5,12-dihydro-7H-benzo(2,3)azepino(4,5-b)indol-6-one634-310-89-bromo-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5H)-oneIndolo[3,2-d][1]benzazepin-6(5H)-one, 9-bromo-7,12-dihydro-NSC6647049-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

Datenbank-Bezeichner

CAS
142273-20-9
PubChem CID
3820
DTXSID
DTXSID10161994
ChEMBL
CHEMBL296586
ChEBI
CHEBI:92658
UNII
T72H2BL53P
EC Number
634-310-8
Nikkaji
J485.726G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,3
Polarare Oberfläche (TPSA)
44,9 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
20

Physikochemische Eigenschaften

Schmelzpunkt
300 °C · >300°C (dec.)
Siedepunkt
613 · 613.0±45.0 °C(Predicted)
Dichte
1.596 · 1.596±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
18 mg/mL, · DMSO: 18 mg/mL, clear, yellow
Aggregatzustand
Yellow-brown solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
3
hs_code
2933.79.1500
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

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