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MS-073

CAT: 0013-GTR19193440-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193440-03Size:100 mg
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Description
MS-073 (CP-162398) is a potent and competitive P-glycoprotein (P-gp) inhibitor that reverses multidrug resistance (MDR) in vitro, as demonstrated in vincristine-resistant P388 leukemia cells and adriamycin-resistant K562/ADM cells. Its application is primarily in cancer research for investigating MDR mechanisms and potentiating chemotherapeutic agents.
CAS Number
129716-45-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C (COC=1C2=C (C=CC1) N=CC=C2) O) N3CCN (C4C=5C (CCC=6C4=CC=CC6) =CC=CC5) CC3
Molecular Formula
C31H33N3O2
Molecular Weight
479.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MS 073

reverses multidrug resistance; structure given in first source

CAS Number129716-45-6
PubChem CID131119
IUPAC Name1-quinolin-5-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]propan-2-ol
Molecular FormulaC31H33N3O2
Molecular Weight479.6
XLogP4.9
Topological Polar Surface Area48.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity659
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CCN(CC4)CC(COC5=CC=CC6=C5C=CC=N6)O
InChI
InChI=1S/C31H33N3O2/c35-25(22-36-30-13-5-12-29-28(30)11-6-16-32-29)21-33-17-19-34(20-18-33)31-26-9-3-1-7-23(26)14-15-24-8-2-4-10-27(24)31/h1-13,16,25,31,35H,14-15,17-22H2
InChIKey
YLQSXCMKFKBZLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MS 073
CAS: 129716-45-6
CID: 131119
Formula: C31H33N3O2
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass479.25727730
Monoisotopic Mass479.25727730
Topological Polar Surface Area48.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity659
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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