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VH032-C2-NH-Boc

CAT: 0804-HY-W584529Size: 1 EachDry Ice: NoHazardous: No
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Description
VH032-C2-NH-Boc is a Boc-modified VH032 that acts as a ligand for VHL and recruits von Hippel-Lindau (VHL) proteins. VH032-C2-NH-Boc will remove the protecting group under acidic conditions, and can be directly used for the synthesis of PROTAC molecules. VH032-C2-NH-Boc is a key intermediate for the synthesis of PROTACs based on VHL ligands.
CAS Number
2361119-87-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/vh032-c2-nh-boc.html
Solubility
10 mM in DMSO
Smiles
O=C(NCC1=CC=C(C2=C(C)N=CS2)C=C1)[C@H]3N(C([C@H](C(C)(C)C)NC(CCCNC(OC(C)(C)C)=O)=O)=O)C[C@H](O)C3
Molecular Formula
C31H45N5O6S
Molecular Weight
615.78
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

Chemical Information

VH032-C2-NH-Boc
CAS Number2361119-87-9
PubChem CID138727224
IUPAC Nametert-butyl N-[4-[[(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]-4-oxobutyl]carbamate
Molecular FormulaC31H45N5O6S
Molecular Weight615.8
XLogP3.3
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity975
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)CCCNC(=O)OC(C)(C)C)O
InChI
InChI=1S/C31H45N5O6S/c1-19-25(43-18-34-19)21-12-10-20(11-13-21)16-33-27(39)23-15-22(37)17-36(23)28(40)26(30(2,3)4)35-24(38)9-8-14-32-29(41)42-31(5,6)7/h10-13,18,22-23,26,37H,8-9,14-17H2,1-7H3,(H,32,41)(H,33,39)(H,35,38)/t22-,23+,26-/m1/s1
InChIKey
NZTPEAOXIRFPEP-MVERNJQCSA-N
Chemical Structure
2D Structure
2D structure of VH032-C2-NH-Boc
CAS: 2361119-87-9
CID: 138727224
Formula: C31H45N5O6S
MW: 615.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight615.8
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass615.30905535
Monoisotopic Mass615.30905535
Topological Polar Surface Area178 Ų
Heavy Atom Count43
Formal Charge0
Complexity975
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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