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AI-10-47

CAT: 0804-HY-138617-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138617-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AI-10-47 is a small molecule inhibitor of CBFβ-RUNX binding, with an IC50 of 3.2 μM[1].
CAS Number
1256094-31-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
RUNX
Type
Reference compound
Related Pathways
Stem Cell/Wnt; TGF-beta/Smad
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ai-10-47.html
Concentration
10mM
Purity
98.93
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
FC(F)(F)OC1=CC=C2N=C(C3=NC=CC=C3)NC2=C1
Molecular Formula
C13H8F3N3O
Molecular Weight
279.22
Precautions
H302, H315, H319, H335
References & Citations
[1]Anuradha Illendula, et al. Small Molecule Inhibitor of CBFβ-RUNX Binding for RUNX Transcription Factor Driven Cancers. EBioMedicine. 2016 Jun;8:117-131.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(Pyridin-2-yl)-6-(trifluoromethoxy)-1H-benzo[d]imidazole
CAS Number1256094-31-1
PubChem CID49804932
IUPAC Name2-pyridin-2-yl-6-(trifluoromethoxy)-1H-benzimidazole
Molecular FormulaC13H8F3N3O
Molecular Weight279.22
XLogP3.3
Topological Polar Surface Area50.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity339
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C13H8F3N3O/c14-13(15,16)20-8-4-5-9-11(7-8)19-12(18-9)10-3-1-2-6-17-10/h1-7H,(H,18,19)
InChIKey
JSNWHSDKJSOXET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Pyridin-2-yl)-6-(trifluoromethoxy)-1H-benzo[d]imidazole
CAS: 1256094-31-1
CID: 49804932
Formula: C13H8F3N3O
MW: 279.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.22
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass279.06194637
Monoisotopic Mass279.06194637
Topological Polar Surface Area50.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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