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TEAD ligand 1

CAT: 0804-HY-158400Size: 1 EachDry Ice: NoHazardous: No
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Description
TEAD ligand 1 is the ligand for target protein TEAD. TEAD ligand 1 is utilized for synthesis of PROTAC TEAD degrader-1.
CAS Number
2971850-47-0
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC; YAP
Type
Reference compound
Related Pathways
PROTAC; Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tead-ligand-1.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=C2C(C3=CC=C(C(F)(F)F)C=C3)=CC=CC2=C1)N[C@H](C4=NC(Br)=CC=C4)C
Molecular Formula
C25H18BrF3N2O
Molecular Weight
499.32
References & Citations
[1]Li H, et al., Design, Synthesis, and Bioevaluation of Transcriptional Enhanced Assocciated Domain (TEAD) PROTAC Degraders. ACS Med Chem Lett. 2024 Apr 22;15 (5) :631-639.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

TEAD ligand 1
CAS Number2971850-47-0
PubChem CID171714312
IUPAC NameN-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
Molecular FormulaC25H18BrF3N2O
Molecular Weight499.3
XLogP6.8
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity637
SMILES
C[C@@H](C1=NC(=CC=C1)Br)NC(=O)C2=CC3=C(C=C2)C(=CC=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C25H18BrF3N2O/c1-15(22-6-3-7-23(26)31-22)30-24(32)18-10-13-21-17(14-18)4-2-5-20(21)16-8-11-19(12-9-16)25(27,28)29/h2-15H,1H3,(H,30,32)/t15-/m0/s1
InChIKey
JDMMPOSIISTKIN-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of TEAD ligand 1
CAS: 2971850-47-0
CID: 171714312
Formula: C25H18BrF3N2O
MW: 499.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.3
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass498.05546
Monoisotopic Mass498.05546
Topological Polar Surface Area42 Ų
Heavy Atom Count32
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-137479-01TEAD-IN-1
HY-P2244-01YAP-TEAD-IN-1
HY-170311YAP/TEAD-IN-1
HY-159912Pan-TEAD-IN-1
HY-158342-01PROTAC TEAD degrader-1
HY-P2244A-01YAP-TEAD-IN-1 (TFA)
HY-163173-01TEAD-IN-8
HY-161443TEAD-IN-9
HY-158395TEAD-IN-13
HY-156024TEAD-IN-6

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