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OY-101

CAT: 0931-T67948-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T67948-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41183-02-2
Target
Others, P-gp
Related Pathways
Neuroscience, Others, Membrane transporter/Ion channel
Bioactivity
OY-101, an orally active compound, serves as a potent and specific inhibitor of P-glycoprotein (P-gp) . It has the capability to sensitize drug-resistant tumors and counteract tumor multidrug resistance efficiently. Compared to Tetrandrine [1], OY-101 demonstrates enhanced water-solubility, cytotoxicity, and reversal activity.
Smiles
COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OCc1ccccc1
Molecular Formula
C27H31NO4
Molecular Weight
433.548
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(3-(Benzyloxy)-4-methoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
CAS Number41183-02-2
PubChem CID13873966
IUPAC Name6,7-dimethoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
Molecular FormulaC27H31NO4
Molecular Weight433.5
XLogP5.2
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity554
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)OC)OC
InChI
InChI=1S/C27H31NO4/c1-28-13-12-21-16-25(30-3)26(31-4)17-22(21)23(28)14-20-10-11-24(29-2)27(15-20)32-18-19-8-6-5-7-9-19/h5-11,15-17,23H,12-14,18H2,1-4H3
InChIKey
VGJZVOUZZFXQBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-(Benzyloxy)-4-methoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
CAS: 41183-02-2
CID: 13873966
Formula: C27H31NO4
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass433.22530847
Monoisotopic Mass433.22530847
Topological Polar Surface Area40.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity554
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