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Zosuquidar

CAT: 0013-GTR19188253-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188253-01Size:1 mg
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Description
Zosuquidar is a potent P-glycoprotein inhibitor that suppresses tumor growth. It also promotes the autophagic degradation of PD-L1, reducing its expression. This small molecule is utilized in oncology research, particularly in studies of multidrug resistance and acute myeloid leukemia, with applications in both in vitro and in vivo experimental models.
CAS Number
167354-41-8
Product Name Alternative
RS33295-198, RS 33295-198, Zosuquidar, LY335979, LY-335979
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.44% (May vary between batches)
Solubility
DMSO:80 mg/mL (151.63 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (9.48 mM)
Smiles
FC1 (F) [C@]2 ([C@@]1 (C=3C ([C@@H] (C=4C2=CC=CC4) N5CCN (C[C@H] (COC=6C7=C (C=CC6) N=CC=C7) O) CC5) =CC=CC3) [H]) [H]
Molecular Formula
C32H31F2N3O2
Molecular Weight
527.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zosuquidar

LSM-5782 is a carbopolycyclic compound.

CAS Number167354-41-8
PubChem CID3036703
IUPAC Name(2R)-1-[4-[(2S,4R)-3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol
Molecular FormulaC32H31F2N3O2
Molecular Weight527.6
XLogP4.9
Topological Polar Surface Area48.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity806
SMILES
C1CN(CCN1C[C@H](COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5[C@H]6[C@H](C6(F)F)C7=CC=CC=C47
InChI
InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31?/m1/s1
InChIKey
IHOVFYSQUDPMCN-XAKVHENESA-N
Chemical Structure
2D Structure
2D structure of Zosuquidar
CAS: 167354-41-8
CID: 3036703
Formula: C32H31F2N3O2
MW: 527.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.6
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass527.23843356
Monoisotopic Mass527.23843356
Topological Polar Surface Area48.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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