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E3 ligase Ligand 41

CAT: 0804-HY-169968Size: 1 EachDry Ice: NoHazardous: No
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Description
E3 ligase Ligand 41 (Compound SI-13) is a ligand for E3 ubiquitin ligase DCAF16. E3 ligase Ligand 41 can be connected to SLF by a linker (HY-W040168) to form KB03-SLF (HY-147196)[2].
CAS Number
2375196-68-0
UNSPSC
12352005
Target
E1/E2/E3 Enzyme; Ligands for E3 Ligase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e3-ligase-ligand-41.html
Smiles
OC(CCNC(C1=CC(NC(CCl)=O)=CC(C(F)(F)F)=C1)=O)=O
Molecular Formula
C13H12ClF3N2O4
Molecular Weight
352.69
References & Citations
[1]Zhang X, et al. Electrophilic PROTACs that degrade nuclear proteins by engaging DCAF16. Nat Chem Biol. 2019 Jul;15 (7) :737-746.|[2]ZHANG XY, et al. COMPOUNDS AND METHODS FOR DCAF-MEDIATED PROTEIN DEGRADATION. WO2020077278. 2020 April 16.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

3-(3-(2-Chloroacetamido)-5-(trifluoromethyl)benzamido)propanoic acid
CAS Number2375196-68-0
PubChem CID137347736
IUPAC Name3-[[3-[(2-chloroacetyl)amino]-5-(trifluoromethyl)benzoyl]amino]propanoic acid
Molecular FormulaC13H12ClF3N2O4
Molecular Weight352.69
XLogP1.4
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity459
SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCl)C(=O)NCCC(=O)O
InChI
InChI=1S/C13H12ClF3N2O4/c14-6-10(20)19-9-4-7(3-8(5-9)13(15,16)17)12(23)18-2-1-11(21)22/h3-5H,1-2,6H2,(H,18,23)(H,19,20)(H,21,22)
InChIKey
GDJKFDRRSBFLCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-(2-Chloroacetamido)-5-(trifluoromethyl)benzamido)propanoic acid
CAS: 2375196-68-0
CID: 137347736
Formula: C13H12ClF3N2O4
MW: 352.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.69
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass352.0437690
Monoisotopic Mass352.0437690
Topological Polar Surface Area95.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity459
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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