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E3 ligase Ligand 7

CAT: 0804-HY-159076Size: 1 EachDry Ice: NoHazardous: No
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Description
E3 ligase Ligand 7 (Compound 6) is a ligand for E3 ligase. E3 ligase Ligand 7 can be utilized for the synthesis of PROTAC BET Degrader-12.
CAS Number
37630-54-9
UNSPSC
12352005
Target
Ligands for E3 Ligase
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e3-ligase-ligand-7.html
Smiles
O=C(O)/C(C#N)=C/C1=CC=C2C=CC=CC2=C1
Molecular Formula
C14H9NO2
Molecular Weight
223.23
References & Citations
[1]Tin G, et al., Discovery of a DCAF11-dependent cyanoacrylamide-containing covalent degrader of BET-proteins. Bioorg Med Chem Lett. 2024 Jul 15;107:129779.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
DCAF11

Chemical Information

(E)-2-cyano-3-naphthalen-2-ylprop-2-enoic acid
CAS Number37630-54-9
PubChem CID6017922
IUPAC Name(E)-2-cyano-3-naphthalen-2-ylprop-2-enoic acid
Molecular FormulaC14H9NO2
Molecular Weight223.23
XLogP3.1
Topological Polar Surface Area61.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity377
SMILES
C1=CC=C2C=C(C=CC2=C1)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C14H9NO2/c15-9-13(14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,(H,16,17)/b13-8+
InChIKey
DGBCTRJIBBKQEU-MDWZMJQESA-N
Chemical Structure
2D Structure
2D structure of (E)-2-cyano-3-naphthalen-2-ylprop-2-enoic acid
CAS: 37630-54-9
CID: 6017922
Formula: C14H9NO2
MW: 223.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.23
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass223.063328530
Monoisotopic Mass223.063328530
Topological Polar Surface Area61.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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