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(R, S, S) -VH032

CAT: 0931-T84747-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84747-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230826-33-0
Target
Ligand for E3 Ligase, Others
Related Pathways
PROTAC, Others
Bioactivity
(R, S, S) -VH032 is a ligand for E3 ligase and a VHL/HIF-1α interaction inhibitor utilized in the synthesis of PROTACs, particularly the tau-targeting small molecule PROTAC C004019 [1]. As a VHL ligand, it recruits von Hippel-Lindau (VHL) proteins, facilitating the development of targeted protein degradation therapies.
Smiles
C(NCC1=CC=C(C=C1)C=2SC=NC2C)(=O)[C@@H]3N(C([C@H](C(C)(C)C)N)=O)C[C@@H](O)C3
Molecular Formula
C22H30N4O3S
Molecular Weight
430.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R,S,S)-VH032
CAS Number2230826-33-0
PubChem CID135157027
IUPAC Name(2R,4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC22H30N4O3S
Molecular Weight430.6
XLogP2.1
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity618
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)N)O
InChI
InChI=1S/C22H30N4O3S/c1-13-18(30-12-25-13)15-7-5-14(6-8-15)10-24-20(28)17-9-16(27)11-26(17)21(29)19(23)22(2,3)4/h5-8,12,16-17,19,27H,9-11,23H2,1-4H3,(H,24,28)/t16-,17+,19+/m0/s1
InChIKey
ZLOXMSNKPDWMEF-YQVWRLOYSA-N
Chemical Structure
2D Structure
2D structure of (R,S,S)-VH032
CAS: 2230826-33-0
CID: 135157027
Formula: C22H30N4O3S
MW: 430.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.6
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass430.20386201
Monoisotopic Mass430.20386201
Topological Polar Surface Area137 Ų
Heavy Atom Count30
Formal Charge0
Complexity618
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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Alternative Products

CatalogName
BUP14366-01VH032
YID83654-01Vh032 thiol
HY-136164-01VH032-OH
HY-W584534VH032-CH2-Boc
HY-D2413BODIPY FL VH032
HY-128767-01VH032-PEG3-acetylene
MBS3615552-01VH032-cyclopropane-F
A19857-10VH032 thiol 10mg
MBS3615290-01VH032-PEG4-NH2
abx282908-01VH032 amine HCl

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