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PROTAC BTK Degrader-1

CAT: 0013-GTR19221073-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221073-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC BTK Degrader-1 is a potent, selective, and orally bioavailable small molecule that effectively degrades both wild-type and BTK-481S mutant proteins. It demonstrates robust tumor suppression in preclinical models, making it a valuable chemical tool for oncology research and targeted protein degradation studies in vitro and in vivo.
CAS Number
2801715-13-7
Field of Research
Cardiovascular Research, Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
Nc1ncnc2n (nc (-c3ccc (Oc4ccccc4) cc3) c12) C1CCN (CC1) C1CCN (CC#Cc2ccc3C (=O) N (Cc3c2) C2CCC (=O) NC2=O) CC1
Molecular Formula
C43H43N9O4
Molecular Weight
749.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC BTK Degrader-1
CAS Number2801715-13-7
PubChem CID164517156
IUPAC Name3-[6-[3-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]piperidin-1-yl]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC43H43N9O4
Molecular Weight749.9
XLogP4.3
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count56
Formal Charge0
Complexity1470
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)C#CCN4CCC(CC4)N5CCC(CC5)N6C7=NC=NC(=C7C(=N6)C8=CC=C(C=C8)OC9=CC=CC=C9)N
InChI
InChI=1S/C43H43N9O4/c44-40-38-39(29-9-11-34(12-10-29)56-33-6-2-1-3-7-33)48-52(41(38)46-27-45-40)32-18-23-50(24-19-32)31-16-21-49(22-17-31)20-4-5-28-8-13-35-30(25-28)26-51(43(35)55)36-14-15-37(53)47-42(36)54/h1-3,6-13,25,27,31-32,36H,14-24,26H2,(H2,44,45,46)(H,47,53,54)
InChIKey
VJBTZFUBOYQFGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC BTK Degrader-1
CAS: 2801715-13-7
CID: 164517156
Formula: C43H43N9O4
MW: 749.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight749.9
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass749.34380089
Monoisotopic Mass749.34380089
Topological Polar Surface Area152 Ų
Heavy Atom Count56
Formal Charge0
Complexity1470
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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