6-Bromoindirubin-3′-oxime
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6-Bromoindirubin-3′-oxime
structure -
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CAS No:
667463-62-9
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Formula:
C16H10BrN3O2
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Chemical Name:
6-Bromoindirubin-3′-oxime
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Synonyms:
2H-Indol-2-one,6-bromo-3-[(3E)-1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-,(3Z)-;(3Z)-6-Bromo-3-[(3E)-1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one;(2′Z,3′E)-6-Bromoindirubin-3′-oxime;GSK 3 Inhibitor IX;GSK 3 IX;MLS 2052;BIO;6-Bromoindirubin-3′-oxime;6-BIO;KIN 001-043;(2Z,3E)-6′-Bromo-3-(hydroxyimino)-[2,3′-biindolinyliden]-2′-one
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CAS No:
Description
GSK 3 Inhibitor IX (6-Bromoindirubin-3'-oxime; BIO) is a potent, selective, reversible and ATP-competitive inhibitor of GSK-3α/β and CDK1-cyclinB complex with IC50s of 5 nM/320 nM/80 nM for (GSK-3α/β)/CDK1/CDK5, respectively.
6-bromoindirubin-3'-oxime is a member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a ketoxime, an organobromine compound, a member of oxindoles and a biindole.
Characteristics
81.2 Ų
dark red solid
1.8±0.1 g/cm3
>300 °C
554.3°C at 760 mmHg
289.0±30.1 °C
1.802
DMSO: >5 mg/mL
2-8°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
NM3241900
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:356.17
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:354.99564
Monoisotopic Mass:354.99564
Topological Polar Surface Area:81.2
Heavy Atom Count:22
Complexity:438
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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