VH032 thiol (VHL ligand 6) is a von Hippel-Lindau protein (VHL) ligand. VH032 thiol (VHL ligand 6) binds to JQ1 through the linker to form a PROTAC molecule.

Physicochemical Properties

Molecular Formula	C23H30N4O4S2
Molecular Weight	490.6387
Exact Mass	490.17
CAS #	2098836-54-3
PubChem CID	124201834
Appearance	White to light yellow solid powder
LogP	1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	33
Complexity	729
Defined Atom Stereocenter Count	3
SMILES	S([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(C(N1C([H])([H])[C@@]([H])(C([H])([H])[C@@]1([H])C(N([H])C([H])([H])C1C([H])=C([H])C(C2=C(C([H])([H])[H])N=C([H])S2)=C([H])C=1[H])=O)O[H])=O)N([H])C(C([H])([H])[H])=O
InChi Key	MTXNPMAFURZVJC-WSTZPKSXSA-N
InChi Code	InChI=1S/C23H30N4O4S2/c1-13-19(33-12-25-13)16-7-5-15(6-8-16)10-24-21(30)18-9-17(29)11-27(18)22(31)20(23(3,4)32)26-14(2)28/h5-8,12,17-18,20,29,32H,9-11H2,1-4H3,(H,24,30)(H,26,28)/t17-,18+,20-/m1/s1
Chemical Name	(2S,4R)-1-[(2R)-2-acetamido-3-methyl-3-sulfanylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Structural basis of PROTAC cooperative recognition for selective protein degradation. Nat Chem Biol. 2017 May;13(5):514-521.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~101.91 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 4.55 mg/mL (9.27 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 45.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.10 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.10 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.0382 mL	10.1908 mL	20.3815 mL
	5 mM	0.4076 mL	2.0382 mL	4.0763 mL
	10 mM	0.2038 mL	1.0191 mL	2.0382 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.