(S,R,S)-AHPC-PEG6-C4-Cl (VH032-PEG6-C4-Cl) is a composite molecule connected by E3 ligand to 25 atoms, and the linker of the linker is a Halogen group. (S,R,S)-AHPC-PEG6-C4-Cl contains (S,R,S)-AHPC-based VHL ligand and 6-unit PEG linker. (S,R,S)-AHPC-PEG6-C4-Cl can induce the degradation of GFP-HaloTag7.

Physicochemical Properties

Molecular Formula	C40H63CLN4O10S
Molecular Weight	827.467029809952
Exact Mass	826.395
CAS #	1835705-59-3
PubChem CID	129072821
Appearance	Light yellow to yellow ointment
LogP	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	30
Heavy Atom Count	56
Complexity	1100
Defined Atom Stereocenter Count	3
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)COCCOCCOCCOCCOCCOCCCCCCCl)O
InChi Key	XIGXWMDJELQVSW-WYMKREKISA-N
InChi Code	InChI=1S/C40H63ClN4O10S/c1-30-36(56-29-43-30)32-11-9-31(10-12-32)26-42-38(48)34-25-33(46)27-45(34)39(49)37(40(2,3)4)44-35(47)28-55-24-23-54-22-21-53-20-19-52-18-17-51-16-15-50-14-8-6-5-7-13-41/h9-12,29,33-34,37,46H,5-8,13-28H2,1-4H3,(H,42,48)(H,44,47)/t33-,34+,37-/m1/s1
Chemical Name	(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-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

ln Vitro	HaloTag7 fusion proteins are intended to be ubiquitylated and degraded by HaloPROTACs[1].
References	[1]. Rapid and Reversible Knockdown of Endogenously Tagged Endosomal Proteins via an Optimized HaloPROTAC Degrader. ACS Chem Biol. 2019 May 17;14(5):882-892.

Solubility Data

Solubility (In Vitro)

Ethanol : ~100 mg/mL (~120.85 mM) DMSO : ≥ 100 mg/mL (~120.85 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.02 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 25.0 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 (3.02 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 (3.02 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	1.2085 mL	6.0425 mL	12.0850 mL
	5 mM	0.2417 mL	1.2085 mL	2.4170 mL
	10 mM	0.1209 mL	0.6043 mL	1.2085 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.