347323-96-0

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347323-96-0 Structure

Identification	Back Directory
[Name] (E)-2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one
[CAS] 347323-96-0
[Synonyms] ITX 3 CS-1227 ITX3 >=98% (HPLC) Trio N-Terminal RhoGEF Domain Inhibitor, ITX3 Trio N-Terminal RhoGEF Domain Inhibitor, ITX3 - CAS 347323-96-0 - Calbiochem 2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-thiazolo[3,2-a]benzimidazol-3(2H)-one Thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]- (E)-2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one
[Molecular Formula] C22H17N3OS
[MDL Number] MFCD02629172
[MOL File] 347323-96-0.mol
[Molecular Weight] 371.45

Chemical Properties	Back Directory
[Boiling point ] 589.5±60.0 °C(Predicted)
[density ] 1.32±0.1 g/cm3(Predicted)
[storage temp. ] Store at +4°C
[solubility ] DMSO: ≥4mg/mL
[form ] Yellow solid
[pka] 0.17±0.20(Predicted)
[color ] Light yellow to yellow
[InChI] 1S/C22H17N3OS/c1-14-12-16(15(2)24(14)17-8-4-3-5-9-17)13-20-21(26)25-19-11-7-6-10-18(19)23-22(25)27-20/h3-13H,1-2H3/b20-13+
[InChIKey] SJMYMKPBODEZSH-DEDYPNTBSA-N
[SMILES] Cc1cc(\C=C2\Sc3nc4ccccc4n3C2=O)c(C)n1-c5ccccc5

Safety Data	Back Directory
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Uses] ITX3 is a nontoxic inhibitor of TrioN, the N-terminal GEF domain of the multidomain Trio protein. ITX 3 specifically inhibited endogenous TrioN activity.
[Biological Activity] ITX3 is a specific inhibitor of endogenous TrioN activity acting on the GEF domain and selective cell active inhibitor of the Trio/RhoG/Rac1 pathway. The compound is active in whole cell assay where it inhibits the formation of TrioN-dependent cell structures. ITX3 appears to be specific for TrioN inhibition rather than other RhoGEFs.

Spectrum Detail	Back Directory
[Spectrum Detail] (E)-2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one(347323-96-0)¹HNMR

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