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VH 032 amide-PEG1-acid

CAT: 0013-GTR19191529Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191529Size:25 mg
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Description
This functionalized VHL ligand is a key building block for PROTAC synthesis, featuring an E3 ligase binder connected via a PEG1 linker to a carboxylic acid for target warhead conjugation. It is widely used in both cellular and in vitro assays to develop degraders for cancer and disease-related proteins.
CAS Number
2172820-07-2
Field of Research
Cell Biology, Molecular Biology, Pharmacology & Drug Discovery
Smiles
Cc1ncsc1-c1ccc (CNC (=O) [C@@H]2C[C@@H] (O) CN2C (=O) [C@@H] (NC (=O) CCOCCC (O) =O) C (C) (C) C) cc1 |@:34|
Molecular Formula
C28H38N4O7S
Molecular Weight
574.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

VH 032 amide-PEG1-acid
CAS Number2172820-07-2
PubChem CID134184040
IUPAC Name3-[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]propanoic acid
Molecular FormulaC28H38N4O7S
Molecular Weight574.7
XLogP1.6
Topological Polar Surface Area186
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity890
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)CCOCCC(=O)O)O
InChI
InChI=1S/C28H38N4O7S/c1-17-24(40-16-30-17)19-7-5-18(6-8-19)14-29-26(37)21-13-20(33)15-32(21)27(38)25(28(2,3)4)31-22(34)9-11-39-12-10-23(35)36/h5-8,16,20-21,25,33H,9-15H2,1-4H3,(H,29,37)(H,31,34)(H,35,36)/t20-,21+,25-/m1/s1
InChIKey
HVPZHRHEHKZOOJ-TYBLODHISA-N
Chemical Structure
2D Structure
2D structure of VH 032 amide-PEG1-acid
CAS: 2172820-07-2
CID: 134184040
Formula: C28H38N4O7S
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass574.24612074
Monoisotopic Mass574.24612074
Topological Polar Surface Area186 Ų
Heavy Atom Count40
Formal Charge0
Complexity890
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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