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DYR684

CAT: 0931-T201046-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201046-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3038487-48-5
Target
DYRK, PROTACs
Related Pathways
Cell Cycle/Checkpoint, Tyrosine Kinase/Adaptors, PROTAC
Bioactivity
DYR684 is a PROTAC designed to target the protein kinase DYRK1A, promoting its rapid, efficient, potent, and selective degradation in cellular assays.
Smiles
O=C1C=2C=CC=C(NCC=3C=NN(C3)C4CCN(C(=O)C5CCN(C6=NC=C(C#CCN7CCN(C8=CC=C(C=C8F)N9C=%10N=C(C=CC%10N=C9C)C=%11C=CN=C(N)C%11)CC7)C=C6)CC5)CC4)C2C(=O)N1C%12C(=O)NC(=O)CC%12
Molecular Formula
C58H58FN15O5
Molecular Weight
1064.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[[1-[1-[1-[5-[3-[4-[4-[5-(2-Amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CAS Number3038487-48-5
PubChem CID171629543
IUPAC Name4-[[1-[1-[1-[5-[3-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC58H58FN15O5
Molecular Weight1064.2
XLogP5
Topological Polar Surface Area226
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count79
Formal Charge0
Complexity2260
SMILES
CC1=NC2=C(N1C3=CC(=C(C=C3)N4CCN(CC4)CC#CC5=CN=C(C=C5)N6CCC(CC6)C(=O)N7CCC(CC7)N8C=C(C=N8)CNC9=CC=CC1=C9C(=O)N(C1=O)C1CCC(=O)NC1=O)F)N=C(C=C2)C1=CC(=NC=C1)N
InChI
InChI=1S/C58H58FN15O5/c1-36-65-47-10-9-45(40-15-20-61-50(60)30-40)66-54(47)73(36)42-8-11-48(44(59)31-42)69-28-26-68(27-29-69)21-3-4-37-7-13-51(63-32-37)70-22-16-39(17-23-70)56(77)71-24-18-41(19-25-71)72-35-38(34-64-72)33-62-46-6-2-5-43-53(46)58(79)74(57(43)78)49-12-14-52(75)67-55(49)76/h2,5-11,13,15,20,30-32,34-35,39,41,49,62H,12,14,16-19,21-29,33H2,1H3,(H2,60,61)(H,67,75,76)
InChIKey
PTARASCXNREVCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[1-[1-[1-[5-[3-[4-[4-[5-(2-Amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CAS: 3038487-48-5
CID: 171629543
Formula: C58H58FN15O5
MW: 1064.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1064.2
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass1063.47293817
Monoisotopic Mass1063.47293817
Topological Polar Surface Area226 Ų
Heavy Atom Count79
Formal Charge0
Complexity2260
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

Related Products

CatalogName
TMAB-05369-01Anti-DYRK4 Polyclonal Antibody

Alternative Products

CatalogName
HY-168194DYR684

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