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Encequidar (HM30181)

CAT: 1568-C09374-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C09374-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
849675-66-7
Synonyms
HM30181A
Target
P-gp
Applications
Neuronal Signaling
Molecular Formula
C38H36N6O7
Additionnal Information
Encequidar (HM30181, HM30181A) is a potent and selective inhibitor of the adenosine triphosphate-binding cassette transporter P-glycoprotein (P-gp) .
Storage Conditions
3 years -20°C powder

Chemical Information

Encequidar

Encequidar is an inhibitor of the adenosine triphosphate (ATP)-binding cassette (ABC) transporter P-glycoprotein (P-gp), with adjuvant activity. Upon oral administration, encequidar selectively binds to and inhibits the multidrug resistance (MDR) efflux pump P-gp, which prevents the efflux of various chemotherapeutic agents from intestinal epithelial cells to the gastrointestinal tract. This leads to an increase in both oral bioavailability and therapeutic efficacy. P-gp prevents the intestinal uptake and intracellular accumulation of various cytotoxic agents. Encequidar is not systemically absorbed.

CAS Number849675-66-7
PubChem CID11399764
IUPAC NameN-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
Molecular FormulaC38H36N6O7
Molecular Weight688.7
XLogP5.8
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count51
Formal Charge0
Complexity1220
SMILES
COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC
InChI
InChI=1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46)
InChIKey
AHJUHHDDCJQACA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Encequidar
CAS: 849675-66-7
CID: 11399764
Formula: C38H36N6O7
MW: 688.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight688.7
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass688.26454751
Monoisotopic Mass688.26454751
Topological Polar Surface Area139 Ų
Heavy Atom Count51
Formal Charge0
Complexity1220
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

Alternative Products

CatalogName
S3431-5mgEncequidar (HM30181)
HY-13646-01Encequidar
HY-13646A-01Encequidar (mesylate)
401510Encequidar mesylate
A21212-50Encequidar 50mg
GTR19211397-01Encequidar, HCl
A21212-25Encequidar 25mg
A21212-5Encequidar 5mg
HY-13646BEncequidar (hydrochloride)
HY-13646R-01Encequidar (Standard)

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