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Fluorescein-PEG4-acid

CAT: 0804-HY-120368-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120368-01Size:5 mg
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Description
Fluorescein-PEG4-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1807518-76-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/fluorescein-peg4-acid.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
O=C(O)CCOCCOCCOCCOCCNC(NC1=CC2=C(C3(C4=C(OC5=C3C=CC(O)=C5)C=C(O)C=C4)OC2=O)C=C1)=S
Molecular Formula
C32H34N2O11S
Molecular Weight
654.68
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Fluorescein-PEG4-Acid
CAS Number1807518-76-8
PubChem CID91757936
IUPAC Name3-[2-[2-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC32H34N2O11S
Molecular Weight654.7
XLogP1.9
Topological Polar Surface Area206
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count46
Formal Charge0
Complexity995
SMILES
C1=CC2=C(C=C1NC(=S)NCCOCCOCCOCCOCCC(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI
InChI=1S/C32H34N2O11S/c35-21-2-5-25-27(18-21)44-28-19-22(36)3-6-26(28)32(25)24-4-1-20(17-23(24)30(39)45-32)34-31(46)33-8-10-41-12-14-43-16-15-42-13-11-40-9-7-29(37)38/h1-6,17-19,35-36H,7-16H2,(H,37,38)(H2,33,34,46)
InChIKey
DSZDFOCKVIPCKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluorescein-PEG4-Acid
CAS: 1807518-76-8
CID: 91757936
Formula: C32H34N2O11S
MW: 654.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.7
XLogP31.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass654.18833108
Monoisotopic Mass654.18833108
Topological Polar Surface Area206 Ų
Heavy Atom Count46
Formal Charge0
Complexity995
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

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