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Tariquidar

CAT: 0013-GTR19171992-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171992-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tariquidar (XR9576) is a potent, non-competitive P-glycoprotein inhibitor with a Kd of 5.1 nM. It is widely used in vitro to reverse multidrug resistance in cancer cell lines and has been applied in vivo to investigate pharmacokinetic enhancement of chemotherapeutic agents.
CAS Number
206873-63-4
Product Name Alternative
Tariquidar, Pgp, P-gp, P-gp (P-glycoprotein), P-glycoprotein, XR9576, XR-9576, XR 9576, Cluster of differentiation 243, CD243, ABCB1, Multidrug resistance protein 1, inhibit, Inhibitor, MDR1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.07% (May vary between batches)
Solubility
DMSO:49.5 mg/mL (76.54 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.55 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
COc1cc2CCN (CCc3ccc (NC (=O) c4cc (OC) c (OC) cc4NC (=O) c4cnc5ccccc5c4) cc3) Cc2cc1OC
Molecular Formula
C38H38N4O6
Molecular Weight
646.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tariquidar

Tariquidar is a member of benzamides.

CAS Number206873-63-4
PubChem CID148201
IUPAC NameN-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide
Molecular FormulaC38H38N4O6
Molecular Weight646.7
XLogP6.1
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count48
Formal Charge0
Complexity1040
SMILES
COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC
InChI
InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)
InChIKey
LGGHDPFKSSRQNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tariquidar
CAS: 206873-63-4
CID: 148201
Formula: C38H38N4O6
MW: 646.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight646.7
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass646.27913494
Monoisotopic Mass646.27913494
Topological Polar Surface Area111 Ų
Heavy Atom Count48
Formal Charge0
Complexity1040
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

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202820Tariquidar
MBS5786050Tariquidar dimesylate
HY-10550BTariquidar (dimesylate)

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