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VH032 analogue-1

CAT: 0804-HY-W584527Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W584527Size:1 Each
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Description
VH032 analogue-1 is a VH032 analog that acts as a ligand for VHL, recruiting von Hippel-Lindau (VHL) protein. VH032 analogue-1 will remove the protective group under acidic conditions and be directly used for PROTAC molecular synthesis. VH032 analogue-1 is a key intermediate in the synthesis of PROTACs based on VHL ligands.
CAS Number
2111829-84-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/vh032-analogue-1.html
Solubility
10 mM in DMSO
Smiles
CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H]3N(C[C@@H](C3)O)C(CNC(OC(C)(C)C)=O)=O)=O
Molecular Formula
C23H30N4O5S
Molecular Weight
474.57
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Von Hippel-Lindau (VHL)

Chemical Information

VH032 analogue-1
CAS Number2111829-84-4
PubChem CID168445297
IUPAC Nametert-butyl N-[2-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
Molecular FormulaC23H30N4O5S
Molecular Weight474.6
XLogP1.9
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity707
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CNC(=O)OC(C)(C)C)O
InChI
InChI=1S/C23H30N4O5S/c1-14-20(33-13-26-14)16-7-5-15(6-8-16)10-24-21(30)18-9-17(28)12-27(18)19(29)11-25-22(31)32-23(2,3)4/h5-8,13,17-18,28H,9-12H2,1-4H3,(H,24,30)(H,25,31)/t17-,18+/m1/s1
InChIKey
MLXIIIXJJLAGSR-MSOLQXFVSA-N
Chemical Structure
2D Structure
2D structure of VH032 analogue-1
CAS: 2111829-84-4
CID: 168445297
Formula: C23H30N4O5S
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass474.19369124
Monoisotopic Mass474.19369124
Topological Polar Surface Area149 Ų
Heavy Atom Count33
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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