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(S, R, S) -AHPC-PEG3-propionic acid

CAT: 0013-GTR19191768Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191768Size:25 mg
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Description
This functionalized VHL ligand is a key building block for PROTAC development, featuring an E3 ligase binder and a PEG linker for attaching a target protein ligand. It serves as a critical tool molecule for constructing heterobifunctional degraders, enabling targeted protein degradation research in both cellular and biochemical assays.
CAS Number
2140807-42-5
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
C ([C@@H] (NC (CCOCCOCCOCCC (O) =O) =O) [C@@] (C) (C) C) (=O) N1[C@H] (C (NCC2=CC=C (C=C2) C3=C (C) N=CS3) =O) C[C@@H] (O) C1
Molecular Formula
C32H46N4O9S
Molecular Weight
662.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S,R,S)-AHPC-PEG3-propionic acid
CAS Number2140807-42-5
PubChem CID132020301
IUPAC Name3-[2-[2-[3-[[(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]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC32H46N4O9S
Molecular Weight662.8
XLogP1.3
Topological Polar Surface Area205
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Heavy Atom Count46
Formal Charge0
Complexity989
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCOCCC(=O)O)O
InChI
InChI=1S/C32H46N4O9S/c1-21-28(46-20-34-21)23-7-5-22(6-8-23)18-33-30(41)25-17-24(37)19-36(25)31(42)29(32(2,3)4)35-26(38)9-11-43-13-15-45-16-14-44-12-10-27(39)40/h5-8,20,24-25,29,37H,9-19H2,1-4H3,(H,33,41)(H,35,38)(H,39,40)/t24-,25+,29-/m1/s1
InChIKey
YHEJFYORSLEJKX-BEYSDYMESA-N
Chemical Structure
2D Structure
2D structure of (S,R,S)-AHPC-PEG3-propionic acid
CAS: 2140807-42-5
CID: 132020301
Formula: C32H46N4O9S
MW: 662.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.8
XLogP31.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Exact Mass662.29855023
Monoisotopic Mass662.29855023
Topological Polar Surface Area205 Ų
Heavy Atom Count46
Formal Charge0
Complexity989
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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