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ITX3

CAT: 0804-HY-16663-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16663-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
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. ITX3 can be used for the research of agent[1][2].
CAS Number
347323-96-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
ROCK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton; Stem Cell/Wnt; TGF-beta/Smad
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ITX3.html
Purity
98.60
Solubility
DMSO : 2 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
O=C(/C1=C\C2=C(C)N(C(C)=C2)C3=CC=CC=C3)N4C(S1)=NC5=CC=CC=C45
Molecular Formula
C22H17N3OS
Molecular Weight
371.45
Precautions
H302, H315, H319
References & Citations
[1]Bouquier N, et al. A cell active chemical GEF inhibitor selectively targets the Trio/RhoG/Rac1 signaling pathway. Chem Biol. 2009 Jun 26;16 (6) :657-66.|[2]Yano T, et al. Tara up-regulates E-cadherin transcription by binding to the Trio RhoGEF and inhibiting Rac signaling. J Cell Biol. 2011 Apr 18;193 (2) :319-32.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(E)-2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one
CAS Number347323-96-0
PubChem CID1362865
IUPAC Name(2E)-2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Molecular FormulaC22H17N3OS
Molecular Weight371.5
XLogP5.3
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity617
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=O)N4C5=CC=CC=C5N=C4S3
InChI
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
Chemical Structure
2D Structure
2D structure of (E)-2-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-3(2H)-one
CAS: 347323-96-0
CID: 1362865
Formula: C22H17N3OS
MW: 371.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.5
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass371.10923335
Monoisotopic Mass371.10923335
Topological Polar Surface Area65.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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