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R 101933

CAT: 0013-GTR19210500-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210500-02Size:50 mg
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Description
R 101933 is a potent and selective inhibitor of P-glycoprotein (P-gp) . This small molecule is a valuable research tool for investigating multidrug resistance (MDR) in cancer, and it is utilized in both in vitro and in vivo studies to modulate drug efflux and bioavailability.
CAS Number
278798-78-0
Smiles
C (OC) (=O) C1N2C (C (C=3C (CC2) =CC=CC3) =C4CCN (CCC5=CC=C (OCC6=NC7=C (C=C6) C=CC=C7) C=C5) CC4) =NC1
Molecular Formula
C37H38N4O3
Molecular Weight
586.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

R 101933
CAS Number278798-78-0
PubChem CID219080
IUPAC Namemethyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-2,3,5,6-tetrahydroimidazo[2,1-b][3]benzazepine-3-carboxylate
Molecular FormulaC37H38N4O3
Molecular Weight586.7
XLogP5.2
Topological Polar Surface Area67.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
COC(=O)C1CN=C2N1CCC3=CC=CC=C3C2=C4CCN(CC4)CCC5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6
InChI
InChI=1S/C37H38N4O3/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/h2-15,34H,16-25H2,1H3
InChIKey
QPGHEZZVRGUCDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of R 101933
CAS: 278798-78-0
CID: 219080
Formula: C37H38N4O3
MW: 586.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.7
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass586.29439109
Monoisotopic Mass586.29439109
Topological Polar Surface Area67.3 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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