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BIO-acetoxime

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Category Herpes simplex Virus (HSV)
CAS 667463-85-6
Description BIO-acetoxime is a potent and selective GSK-3 inhibitor, with IC50s of both 10 nM for GSK-3α/β. It shows >240-fold selectivity over CDK5/p25, CDK2/cyclin A and CDK1/cyclin B. It has anticonvulsant and anti-infection activity.
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Product Information

Synonyms BIA; GSK-3 Inhibitor X; (2'Z,3'E)-6-Bromoindirubin-3'-acetoxime; (3Z)-3-[(3E)-3-(Acetoxyimino)-1,3-dihydro-2H-indol-2-ylidene]-6-bromo-1,3-dihydro-2H-indol-2-one; 2H-Indol-2-one, 3-[(3E)-3-[(acetyloxy)imino]-1,3-dihydro-2H-indol-2-ylidene]-6-bromo-1,3-dihydro-, (3Z)-; 6-Bromoindirubin acetoxime; 6-Bromoindirubin-3'-acetoxime
IUPAC Name (2Z,3E)-3-(acetoxyimino)-6'-bromo-[2,3'-biindolinylidene]-2'-one
Molecular Weight 398.21
Molecular Formula C18H12BrN3O3
Canonical SMILES CC(=O)ON=C1C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC(=C4)Br)O
InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)/b17-15-,22-16+
InChIKey MENDIXKFTXYTHJ-HPBPSMLHSA-N
Purity 98%
Density 1.69±0.1 g/cm3 (Predicted)
Solubility Soluble in DMSO, Ethanol, Water
Appearance Dark Red to Purple Powder
Shelf Life 2 years if stored properly
Storage Store at 2-8°C
Animal Admin Male FVB/N mice are used to test the anticonvulsant effects of BIO-acetoxime in fully kindled mice. To achieve the fully kindled state, mice are stimulated at a fixed subconvulsive threshold current twice daily. The anticonvulsant effect of BIO-acetoxime (BIA) is investigated in the "epileptic" fully kindled mice by stimulating these animals on Monday morning.
Complexity 608
Exact Mass 397.00620
Index Of Refraction 1.741
PSA 83.28000
Target GSK-3; Apoptosis; HSV
XLogP3-AA 3.8

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