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PLX-4545

CAT: 0013-GTR19236196-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236196-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PLX-4545 is an orally active, cereblon-dependent molecular glue that degrades IKZF2 (Helios) . This degradation reprograms immunosuppressive regulatory T cells into pro-inflammatory effector cells, thereby enhancing anti-tumor immunity. Its application in cancer immunotherapy research includes in vitro mechanistic studies and in vivo tumor model evaluations.
CAS Number
2892065-45-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O ([C@@H]1[C@H] (CCCC1) N2CC (C2) C3=CC=CC=C3) C=4C=C5C (=CC4) C (=O) N (C5) [C@@H]6C (=O) NC (=O) CC6
Molecular Formula
C28H31N3O4
Molecular Weight
473.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 166469167
CAS Number2892065-45-9
PubChem CID166469167
IUPAC Name(3S)-3-[3-oxo-6-[(1S,2S)-2-(3-phenylazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC28H31N3O4
Molecular Weight473.6
XLogP3
Topological Polar Surface Area79
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity821
SMILES
C1CC[C@@H]([C@H](C1)N2CC(C2)C3=CC=CC=C3)OC4=CC5=C(C=C4)C(=O)N(C5)[C@H]6CCC(=O)NC6=O
InChI
InChI=1S/C28H31N3O4/c32-26-13-12-24(27(33)29-26)31-17-19-14-21(10-11-22(19)28(31)34)35-25-9-5-4-8-23(25)30-15-20(16-30)18-6-2-1-3-7-18/h1-3,6-7,10-11,14,20,23-25H,4-5,8-9,12-13,15-17H2,(H,29,32,33)/t23-,24-,25-/m0/s1
InChIKey
DQYZQRGRHXEYPT-SDHOMARFSA-N
Chemical Structure
2D Structure
2D structure of CID 166469167
CAS: 2892065-45-9
CID: 166469167
Formula: C28H31N3O4
MW: 473.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.6
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass473.23145648
Monoisotopic Mass473.23145648
Topological Polar Surface Area79 Ų
Heavy Atom Count35
Formal Charge0
Complexity821
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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