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Chemical structure of ITX3

GC36355

ITX3

Also known as (2E)-2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

ITX3 is a specific and nontoxic inhibitor of TrioN (N-terminal GEF domain of the multidomain Trio protein) with an IC50 value of 76 μM

ChemicalCAS347323-96-0MW371.45FormulaC22H17N3OS
CAS number
347323-96-0
Molecular weight
371.45
Formula
C22H17N3OS
Solubility
DMSO： 2 mg/mL (5·38 mM; ultrasonic and warming and heat to 80°C)
InChIKey
SJMYMKPBODEZSH-DEDYPNTBSA-N
Catalogue number
GC36355
Brand
GLPBIO
Computed properties PubChem CID 1362865 · XLogP 5.3 · TPSA 65.1 Ų · H-bond donors 0
XLogP
5.3
TPSA
65.1 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
27

SMILES CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=O)N4C5=CC=CC=C5N=C4S3

Computed descriptors from PubChem (CID 1362865), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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