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Laniquidar

CAT: 0013-GTR19184735-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184735-01Size:25 mg
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Description
Laniquidar (R101933) is a potent third-generation, non-competitive P-glycoprotein inhibitor with an IC50 of 0.51 μM. It is utilized in research to study and overcome multidrug resistance in cancer cell models, though its in vivo application is limited by poor oral bioavailability.
CAS Number
197509-46-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (OC) (=O) C=1N2C (C (C=3C (CC2) =CC=CC3) =C4CCN (CCC5=CC=C (OCC6=NC7=C (C=C6) C=CC=C7) C=C5) CC4) =NC1
Molecular Formula
C37H36N4O3
Molecular Weight
584.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Laniquidar

Laniquidar has been used in trials studying the treatment of Breast Cancer.

CAS Number197509-46-9
PubChem CID6450806
IUPAC Namemethyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylate
Molecular FormulaC37H36N4O3
Molecular Weight584.7
XLogP5.8
Topological Polar Surface Area69.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity985
SMILES
COC(=O)C1=CN=C2N1CCC3=CC=CC=C3C2=C4CCN(CC4)CCC5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6
InChI
InChI=1S/C37H36N4O3/c1-43-37(42)34-24-38-36-35(32-8-4-2-6-27(32)19-23-41(34)36)29-17-21-40(22-18-29)20-16-26-10-14-31(15-11-26)44-25-30-13-12-28-7-3-5-9-33(28)39-30/h2-15,24H,16-23,25H2,1H3
InChIKey
TULGGJGJQXESOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Laniquidar
CAS: 197509-46-9
CID: 6450806
Formula: C37H36N4O3
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass584.27874102
Monoisotopic Mass584.27874102
Topological Polar Surface Area69.5 Ų
Heavy Atom Count44
Formal Charge0
Complexity985
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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