CAS 667463-62-9|BIO

Introduction:Basic information about CAS 667463-62-9|BIO, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameBIO
CAS Number667463-62-9Molecular Weight356.173
Density1.8±0.1 g/cm3Boiling Point554.3±50.0 °C at 760 mmHg
Molecular FormulaC16H10BrN3O2Melting Point300°C(lit.)
MSDSUSAFlash Point289.0±30.1 °C

Names

NameBIO
SynonymMore Synonyms

BIO BiologicalActivity

DescriptionGSK 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.
Related CatalogSignaling Pathways >>PI3K/Akt/mTOR >>GSK-3Signaling Pathways >>Stem Cell/Wnt >>GSK-3Research Areas >>Cancer
Target

GSK-3α:5 nM (IC50)

GSK-3β:5 nM (IC50)

CDK5/p35:80 nM (IC50)

Cdk1/cyclin B:320 nM (IC50)

cdk2/cyclin A:300 nM (IC50)

Cdk4/cyclin D1:10 μM (IC50)

MAPKK:10 μM (IC50)

protein kinase Cα:12 μM (IC50)

In VitroGSK 3 Inhibitor IX (BIO) is a specific inhibitor of glycogen synthase kinase-3 (GSK-3), with IC50 of 5 nM for GSK-3α/β, shows > 16-fold selectivity over CDK5. GSK 3 Inhibitor IX interacts within the ATP binding pocket of these kinases, reduces β-catenin phosphorylation on a GSK-3-specific site in cellular models, closely mimicks Wnt signaling in Xenopus embryos[1]. In human and mouse embryonic stem cells, GSK 3 Inhibitor IX (BIO) maintains the undifferentiated phenotype and sustains expression of the pluripotent state-specific transcription factors Oct-3/4, Rex-1 and Nanog. GSK 3 Inhibitor IX (BIO)-mediated Wnt activation is functionally reversible, as withdrawal of the compound leads to normal multidifferentiation programs in both human and mouse embryonic stem cells[2]. GSK 3 Inhibitor IX (BIO) promotes proliferation in mammalian cardiomyocytes[3]. GSK 3 Inhibitor IX (BIO) is also a pan-JAK inhibitor, with IC50 values of 0.03, 1.5, 8.0, 0.5 μM for TYK2, JAK1, JAK2 and JAK3, respectively. GSK 3 Inhibitor IX (BIO) selectively inhibits phosphorylation of STAT3 and induces apoptosis of human melanoma cells[4].
In VivoGSK 3 Inhibitor IX (BIO) (50 mg/kg, p.o.) suppresses melanoma tumor growth in a mouse xenograft model[4].
Cell AssayCOS1, Hepa (wild-type, CEM/LM AhR deficient and ELB1 ARNT deficient), or SH-SY5Y cells are grown in 6 cm culture dishes in Dulbecco's Modified Medium (DMEM) containing 10% fetal bovine serum. For treatment, IO (5 μM), GSK 3 Inhibitor IX (BIO) (5 or 10 μM), MeBIO (5 or 50 μM), LiCl (20 or 40 mM), or mock solution (DMSO, 0.5% final concentration) is added to medium when cell density reaches appr 70% confluence. After 12 (SH-SY5Y) or 24 hours, the cells, while still in plate, are lysed with lysis buffer (1% SDS, 1 mM sodium orthovanadate, 10 mM Tris [pH 7.4]). The lysate is passed several times through a 26G needle, centrifuged at 10,000× g for 5 min, and adjusted to equal protein concentration. About 8 μg of each sample is loaded for immunoblotting. Enhanced chemiluminescence is used for detection. The following primary antibodies are used: mouse anti-β-catenin CT, mouse anti-phospho-β-catenin, mouse anti-GSK-3 β, mouse anti-GSK-3 phosphoTyr216, rabbit anti-AhR (Aryl hydrocarbon receptor), and rabbit anti-actin.
Animal AdminBALB/c mice (at 6-8 weeks old) and immunodeficient NOD/SCID/IL2Rgamma null (NSG) mice (female at 6-8 weeks old) are used in the assay. A2058 human melanoma cells at 5×106 cells in serum free medium are inoculated subcutaneously into the dorsal area of NSG mice to create xenograft model. When tumors become palpable, 6 GSK 3 Inhibitor IX (BIO) or vehicle control is administered via oral gavage once daily at 50 mg/kg body weight. Tumor growth is monitored every other day. Tumor volumes are measured every 3 to 4 days. Tumor volumes are calculated using the formula: 0.5 × (larger diameter) × (small diameter)2.
References

[1]. Meijer L, et al. GSK-3-selective inhibitors derived from Tyrian purple indirubins. Chem Biol. 2003 Dec;10(12):1255-66.

[2]. Sato N, et al. Maintenance of pluripotency in human and mouse embryonic stem cells through activation of Wnt signaling by a pharmacological GSK-3-specific inhibitor. Nat Med. 2004 Jan;10(1):55-63. Epub 2003 Dec 21.

[3]. Tseng AS, et al. The GSK-3 inhibitor BIO promotes proliferation in mammalian cardiomyocytes. Chem Biol. 2006 Sep;13(9):957-63.

[4]. Liu L1, et al. 6-Bromoindirubin-3'-oxime inhibits JAK/STAT3 signaling and induces apoptosis of human melanoma cells. Cancer Res. 2011 Jun 1;71(11):3972-9

Chemical & Physical Properties

Density1.8±0.1 g/cm3
Boiling Point554.3±50.0 °C at 760 mmHg
Melting Point300°C(lit.)
Molecular FormulaC16H10BrN3O2
Molecular Weight356.173
Flash Point289.0±30.1 °C
Exact Mass354.995636
PSA73.72000
LogP2.41
Vapour Pressure0.0±1.6 mmHg at 25°C
Index of Refraction1.802
InChIKeySAQUSDSPQYQNBG-UHFFFAOYSA-N
SMILESO=Nc1c(-c2c(O)[nH]c3cc(Br)ccc23)[nH]c2ccccc12

Safety Information

Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi
Risk Phrases36/37/38
Safety Phrases26-36
RIDADRNONH for all modes of transport
WGK Germany3

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Synonyms

6-Bromoindirubin-3'-oxime
6-bromoindirubin-3'-monoxime
(3Z)-6-Bromo-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one
2H-Indol-2-one, 6-bromo-3-[(3E)-1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-, (3Z)-
(2'Z,3'E)-6-Bromoindirubin-3'-oxime
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