PROTAC FKBP Degrader-3

 CAS No.: 2079056-43-0  Cat No.: BP-400182  Purity: ≥98% 4.5  

PROTAC FKBP Degrader-3 is a bifunctional degrader built from an FKBP-binding group, a linker, and a von Hippel-Lindau E3 ligase-binding group. Public supplier descriptions identify it as an effective FKBP degrader, although the exact FKBP isoform selectivity and binding-site resolution are not fully detailed in accessible summaries. Its molecular role in PROTAC design is to tether FKBP recognition to VHL recruitment so that FKBP-associated proteins can be brought into proximity with the ubiquitin-transfer machinery. The expected functional mechanism is ternary-complex formation, polyubiquitination of the recruited FKBP target, and proteasomal degradation. This compound is useful for selective protein degradation studies involving FKBP family biology, evaluation of VHL-based degrader architecture, target validation experiments, and comparison of FKBP degradation with occupancy-based FKBP ligand pharmacology.

PROTAC FKBP Degrader-3

Structure of 2079056-43-0

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Category
PROTAC
Molecular Formula
C68H90N6O17S
Molecular Weight
1295.54
Appearance
Solid

* For research and manufacturing use only. Not for human or clinical use.

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Purity
≥98%
Solubility
DMSO: 25 mg/mL (19.30 mM)
Appearance
Solid
Storage
Store at -20°C
IUPACName
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
Synonyms
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[2-[2-[2-[2-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethoxy]ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
Boiling Point
1297.9±65.0°C at 760 mmHg
Density
1.2±0.1 g/cm3
InChI Key
CCQROXFLIRBPGZ-UKYCKITISA-N
InChI
InChI=1S/C68H90N6O17S/c1-11-51(48-35-57(84-8)61(86-10)58(36-48)85-9)65(79)73-27-13-12-17-52(73)67(81)91-54(24-20-44-21-25-55(82-6)56(33-44)83-7)47-15-14-16-50(34-47)90-41-59(76)69-26-28-87-29-30-88-31-32-89-40-60(77)72-63(68(3,4)5)66(80)74-39-49(75)37-53(74)64(78)70-38-45-18-22-46(23-19-45)62-43(2)71-42-92-62/h14-16,18-19,21-23,25,33-36,42,49,51-54,63,75H,11-13,17,20,24,26-32,37-41H2,1-10H3,(H,69,76)(H,70,78)(H,72,77)/t49-,51+,52+,53+,54-,63-/m1/s1
SMILES
CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCOCCOCCOCC(=O)NC(C(=O)N5CC(CC5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C
Mechanism

Target: Targets FKBP12 or FKBP12F36V degradation-tag fusion proteins for experimental targeted protein degradation studies.

Binding Site: Binds the FKBP12 ligand pocket and recruited E3 ligase substrate-recognition domain to support productive ternary complex formation.

Mechanism of Action: PROTAC FKBP Degrader-3 is designed for use in PROTAC or targeted protein degradation experiments directed toward FKBP12 or FKBP12F36V degradation-tag fusion proteins. The bifunctional molecule links a target-recognition element to VHL, promoting proximity between the protein of interest and ubiquitination machinery. Productive ternary-complex formation can drive polyubiquitination and proteasome-dependent target depletion, allowing researchers to compare pharmacological inhibition with protein removal. It is suitable for evaluating degradation potency, kinetics, pathway selectivity, and downstream signaling consequences in engineered or disease-relevant cellular models.

Applications

• PROTAC-Mediated FKBP Degradation: PROTAC FKBP Degrader-3 is designed to facilitate the targeted degradation of FKBP proteins, enabling researchers to study the functional consequences of FKBP loss. This tool aids in dissecting the role of FKBP in cellular processes, offering insights into its involvement in protein folding and immunoregulation.

• Targeted Protein Degradation in Signal Transduction: By utilizing PROTAC FKBP Degrader-3, scientists can selectively degrade FKBP proteins to explore their roles in signal transduction pathways. This application provides a deeper understanding of how FKBP proteins influence cellular signaling, potentially unveiling novel regulatory mechanisms.

• Investigating FKBP-Related Protein Interactions: PROTAC FKBP Degrader-3 serves as a valuable resource for studying FKBP-related protein interactions. By inducing selective degradation, researchers can map interaction networks and identify potential co-factors or binding partners, advancing knowledge in protein-protein interaction dynamics.

• Exploring FKBP in Disease Models: Employing PROTAC FKBP Degrader-3 allows for targeted degradation of FKBP proteins in various disease models. This approach facilitates the investigation of FKBP's contribution to disease progression and pathogenesis, providing a strategic avenue for researching therapeutic targets.

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L

* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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