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MS-073

CAT: 0931-T33510-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33510-02Size:50 mg
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CAS Number
129716-45-6
Target
Others, P-gp
Related Pathways
Others, Membrane transporter/Ion channel, Neuroscience
Bioactivity
MS-073 (CP-162398) is a P-glycoprotein inhibitor (P-gp) . The in vitro resistance to vincristine (VCR) was almost completely reversed in VCR-resistant P388 cells, and the resistance of VCR, adriamycin (ADM), etoposide, and actinomycin D in ADM-resistant human myeloid leukemia K562 (K562/ADM) cells in vitro was also reversed. MS-073 reverses MDR by competitively inhibiting the binding of drugs to P-glycoprotein.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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