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ONT-093

CAT: 0013-GTR19185321-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185321-02Size:5 mg
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Description
ONT-093 (OC-144-093) is an orally bioavailable small molecule inhibitor of P-glycoprotein (P-gp) . It is utilized in cancer research, particularly in studies of multidrug resistance and myelodysplastic syndromes, to investigate chemosensitization in both in vitro and in vivo experimental models.
CAS Number
216227-54-2
Product Name Alternative
OC144 093, OC 144093, OC 144-093, ONT093
Field of Research
Musculoskeletal & Connective Tissue Research, Neuroscience, Pharmacology & Drug Discovery
Purity
98.86% (May vary between batches)
Solubility
Methanol:100 mg/mL (202.15 mM) ; DMSO:80 mg/mL (161.72 mM)
Smiles
N (C (C) C) C1=CC=C (C2=C (N=C (N2) C3=CC=C (/C=C/COCC) C=C3) C4=CC=C (NC (C) C) C=C4) C=C1
Molecular Formula
C32H38N4O
Molecular Weight
494.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ont-093

ONT-093 is an orally bioavailable inhibitor of P-glycoprotein (P-gp). In pre-clinical studies, ONT-093 could inhibit P-gp and reverse multidrug resistance at nM concentrations with no effect on paclitaxel pharmacokinetics.

CAS Number216227-54-2
PubChem CID6450807
IUPAC Name4-[2-[4-[(E)-3-ethoxyprop-1-enyl]phenyl]-4-[4-(propan-2-ylamino)phenyl]-1H-imidazol-5-yl]-N-propan-2-ylaniline
Molecular FormulaC32H38N4O
Molecular Weight494.7
XLogP7.3
Topological Polar Surface Area62
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity658
SMILES
CCOC/C=C/C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=C(C=C3)NC(C)C)C4=CC=C(C=C4)NC(C)C
InChI
InChI=1S/C32H38N4O/c1-6-37-21-7-8-24-9-11-27(12-10-24)32-35-30(25-13-17-28(18-14-25)33-22(2)3)31(36-32)26-15-19-29(20-16-26)34-23(4)5/h7-20,22-23,33-34H,6,21H2,1-5H3,(H,35,36)/b8-7+
InChIKey
RSJCLODJSVZNQA-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of Ont-093
CAS: 216227-54-2
CID: 6450807
Formula: C32H38N4O
MW: 494.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.7
XLogP37.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass494.30456185
Monoisotopic Mass494.30456185
Topological Polar Surface Area62 Ų
Heavy Atom Count37
Formal Charge0
Complexity658
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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