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PROTAC TYK2 degrader-1

CAT: 0931-T87269-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87269-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2770470-20-5
Target
JAK, PROTACs
Related Pathways
PROTAC, Chromatin/Epigenetic, Tyrosine Kinase/Adaptors, Stem Cells, JAK/STAT signaling, Angiogenesis
Bioactivity
PROTAC TYK2 degrader-1 (CPD-155) functions as a selective degrader of TYK2, demonstrating a degradation maximum (D max) greater than 60%. This compound effectively targets TYK2 for degradation, utilizing a linker to connect the TYK2 ligand with the VHL ligand Thalidomide, each color-coded for identification.
Smiles
O=C1C=2C(C(=O)N1C3C(=O)NC(=O)CC3)=CC=CC2NCCCCCNC(=O)C=4C=CC(NC5=CC(NC6=C(OC)C(=CC=C6)C=7N=CN(C)N7)=C(C(NC)=O)N=N5)=NC4
Molecular Formula
C40H41N13O7
Molecular Weight
815.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC TYK2 degrader-1
CAS Number2770470-20-5
PubChem CID169087170
IUPAC Name6-[[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylcarbamoyl]-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
Molecular FormulaC40H41N13O7
Molecular Weight815.8
XLogP3.2
Topological Polar Surface Area256
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Heavy Atom Count60
Formal Charge0
Complexity1560
SMILES
CNC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC4=NC=C(C=C4)C(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
InChI
InChI=1S/C40H41N13O7/c1-41-38(57)33-27(46-26-12-8-10-24(34(26)60-3)35-45-21-52(2)51-35)19-30(49-50-33)47-29-15-13-22(20-44-29)36(55)43-18-6-4-5-17-42-25-11-7-9-23-32(25)40(59)53(39(23)58)28-14-16-31(54)48-37(28)56/h7-13,15,19-21,28,42H,4-6,14,16-18H2,1-3H3,(H,41,57)(H,43,55)(H,48,54,56)(H2,44,46,47,49)
InChIKey
BNTMVRWLSZXCGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC TYK2 degrader-1
CAS: 2770470-20-5
CID: 169087170
Formula: C40H41N13O7
MW: 815.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight815.8
XLogP33.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Exact Mass815.32519070
Monoisotopic Mass815.32519070
Topological Polar Surface Area256 Ų
Heavy Atom Count60
Formal Charge0
Complexity1560
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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HY-158142-01PROTAC TYK2 degrader-1
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