Products for Research Use Only
RegisterLogin

P-gp inhibitor 14

CAT: 0804-HY-149813Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-149813Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
P-gp inhibitor 14 (Compound 8a) is a high affinity P-gp inhibitor. P-gp inhibitor 14 reverses P-gp-mediated multidrug resistance (EC50=48.74 nM) . P-gp inhibitor 14 has a weak inhibitory effect on CYP3A4 activity[1].
CAS Number
2892571-47-8
UNSPSC
12352005
Target
P-glycoprotein
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/p-gp-inhibitor-14.html
Solubility
10 mM in DMSO
Smiles
COC1=CC2=C(CN(CC2)CCC3=CC=C(C=C3)N4CC5=CC(OC)=C6OCOC6=C5C7=C(C4)C=C(C8=C7OCO8)OC)C=C1OC
Molecular Formula
C37H38N2O8
Molecular Weight
638.71
References & Citations
[1]Jiang C, et al. Design and evaluation of dibenzoazepine-tetrahydroisoquinoline hybrids as potential P-glycoprotein inhibitors against multidrug resistant K562/A02 cells. Eur J Med Chem. 2023 Mar 5;249:115150.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

P-gp inhibitor 14
CAS Number2892571-47-8
PubChem CID168432118
IUPAC Name12-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-8,16-dimethoxy-4,6,18,20-tetraoxa-12-azapentacyclo[12.7.0.02,10.03,7.017,21]henicosa-1(21),2,7,9,14,16-hexaene
Molecular FormulaC37H38N2O8
Molecular Weight638.7
XLogP6.1
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity986
SMILES
COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4CC5=CC(=C6C(=C5C7=C8C(=C(C=C7C4)OC)OCO8)OCO6)OC)OC
InChI
InChI=1S/C37H38N2O8/c1-40-28-13-23-10-12-38(17-24(23)14-29(28)41-2)11-9-22-5-7-27(8-6-22)39-18-25-15-30(42-3)34-36(46-20-44-34)32(25)33-26(19-39)16-31(43-4)35-37(33)47-21-45-35/h5-8,13-16H,9-12,17-21H2,1-4H3
InChIKey
DPKJIZPNGZDURU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P-gp inhibitor 14
CAS: 2892571-47-8
CID: 168432118
Formula: C37H38N2O8
MW: 638.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.7
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass638.26281617
Monoisotopic Mass638.26281617
Topological Polar Surface Area80.3 Ų
Heavy Atom Count47
Formal Charge0
Complexity986
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

Related Products

CatalogName
HY-173222P-gp inhibitor 28
HY-168008P-gp inhibitor 25
HY-168711P-gp inhibitor 27
HY-157483P-gp inhibitor 18
HY-155032-01P-gp inhibitor 15
HY-150565P-gp inhibitor 5
HY-144366P-gp inhibitor 3
HY-162396P-gp inhibitor 21
HY-161260P-gp inhibitor 20
HY-N144114P-gp inhibitor 2

Alternative Products

CatalogName
T209011-01P-gp inhibitor 18
T208251-01P-gp inhibitor 16
T207030-01P-gp inhibitor 28
T203146-01P-gp inhibitor 27
T201076-01P-gp inhibitor 26
T87138-01P-gp inhibitor 17
T72739-01P-gp inhibitor 2
T72678-01P-gp inhibitor 4
T79261-01P-gp inhibitor 15
SF9092-5mgTariquidar (P-gp inhibitor)

Popular Products