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TYK2 ligand 1

CAT: 0804-HY-158340Size: 1 EachDry Ice: NoHazardous: No
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Description
TYK2 ligand 1 is a TYK2 ligand in the synthesis of PROTAC-based TYK2 degrader (CPD-155, HY-158142).
CAS Number
2770471-05-9
UNSPSC
12352005
Target
JAK; Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
Epigenetics; JAK/STAT Signaling; PROTAC; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tyk2-ligand-1.html
Smiles
O=C(C1=CN=C(NC2=NN=C(C(NC3=CC=CC(C4=NN(C)C=N4)=C3OC)=C2)C(NC)=O)C=C1)O
Molecular Formula
C22H21N9O4
Molecular Weight
475.46
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

TYK2 ligand 1
CAS Number2770471-05-9
PubChem CID170928305
IUPAC Name6-[[5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(methylcarbamoyl)pyridazin-3-yl]amino]pyridine-3-carboxylic acid
Molecular FormulaC22H21N9O4
Molecular Weight475.5
XLogP1.9
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity731
SMILES
CNC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC4=NC=C(C=C4)C(=O)O
InChI
InChI=1S/C22H21N9O4/c1-23-21(32)18-15(9-17(28-29-18)27-16-8-7-12(10-24-16)22(33)34)26-14-6-4-5-13(19(14)35-3)20-25-11-31(2)30-20/h4-11H,1-3H3,(H,23,32)(H,33,34)(H2,24,26,27,28)
InChIKey
CFQZCXSWZMRNQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TYK2 ligand 1
CAS: 2770471-05-9
CID: 170928305
Formula: C22H21N9O4
MW: 475.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.5
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass475.17165019
Monoisotopic Mass475.17165019
Topological Polar Surface Area169 Ų
Heavy Atom Count35
Formal Charge0
Complexity731
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

Related Products

CatalogName
HY-173359TYK2 ligand 2
HY-143884JAK2/TYK2-IN-1
HY-145336JAK1/TYK2-IN-1
HY-172596TYK2 activator-1
HY-153103LRRK2/NUAK1/TYK2-IN-1
HY-149892STYK2 JH2-IN-1-d3
HY-158142-01PROTAC TYK2 degrader-1
HY-18709Tyk2-IN-3
HY-161683-01Tyk2-IN-19
HY-126242S-01Tyk2-IN-7

Alternative Products

CatalogName
GTR19258394-01TYK2 ligand 2
T88102-01TYK2 ligand 1
529405-01TYK2
GTR17882320-01TYK2 Antibody
BA4909-5.1Tyk2-IN-5
BA4916-5Tyk2-IN-7
BA4906-1TyK2-IN-2
CKD10985-01Tyk2-in-9
580489-01TYK2 (Biotin)
502639TYK2, CT

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