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Photo-lenalidomide-acid

CAT: 0804-HY-139340Size: 1 EachDry Ice: NoHazardous: No
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Description
Photo-lenalidomide-acid (compound 3) is a photacts consist of a ligand for an E3 ligase, a photoswitch, and a ligand for a protein of interest and enable optical control of protein degradation[1].
CAS Number
2363154-39-4
UNSPSC
12352005
Target
PROTACs
Type
Reference compound
Related Pathways
PROTAC
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/photo-lenalidomide-acid.html
Solubility
10 mM in DMSO
Smiles
COC(C=C1/N=N/C2=C3C(C(N(C4C(NC(CC4)=O)=O)C3)=O)=CC=C2)=C(C(OC)=C1)OCC(O)=O
Molecular Formula
C23H22N4O8
Molecular Weight
482.44
References & Citations
[1]Reynders M, et al. PHOTACs enable optical control of protein degradation. Sci Adv. 2020 Feb 21;6 (8) :eaay5064.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Photo-lenalidomide-acid
CAS Number2363154-39-4
PubChem CID155970210
IUPAC Name2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetic acid
Molecular FormulaC23H22N4O8
Molecular Weight482.4
XLogP1.5
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity852
SMILES
COC1=CC(=CC(=C1OCC(=O)O)OC)N=NC2=CC=CC3=C2CN(C3=O)C4CCC(=O)NC4=O
InChI
InChI=1S/C23H22N4O8/c1-33-17-8-12(9-18(34-2)21(17)35-11-20(29)30)25-26-15-5-3-4-13-14(15)10-27(23(13)32)16-6-7-19(28)24-22(16)31/h3-5,8-9,16H,6-7,10-11H2,1-2H3,(H,29,30)(H,24,28,31)
InChIKey
CGLOIOJVUYAUAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Photo-lenalidomide-acid
CAS: 2363154-39-4
CID: 155970210
Formula: C23H22N4O8
MW: 482.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass482.14376367
Monoisotopic Mass482.14376367
Topological Polar Surface Area156 Ų
Heavy Atom Count35
Formal Charge0
Complexity852
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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