SJF620 is a PROTAC protein degrader linked to Cereblon ligand and Btk ligand with DC50 of 7.9 nM. SJF620 contains lenalidomide analogs that recruit CRBN.

Physicochemical Properties

Molecular Formula	C41H44N8O7
Molecular Weight	760.8375
Exact Mass	760.333
CAS #	2376187-16-3
Related CAS #	SJF620 hydrochloride;2821938-05-8
PubChem CID	139466026
Appearance	White to light yellow solid powder
LogP	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	15
Heavy Atom Count	56
Complexity	1310
Defined Atom Stereocenter Count	0
SMILES	O(C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC1C([H])=C([H])C2C(N(C([H])([H])C=2C=1[H])C1([H])C(N([H])C(C([H])([H])C1([H])[H])=O)=O)=O)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])N1C2C(=C(N([H])[H])N=C([H])N=2)C(C2C([H])=C([H])C(=C([H])C=2[H])OC2C([H])=C([H])C([H])=C([H])C=2[H])=N1
InChi Key	UJJYPBWMGIPXOE-UHFFFAOYSA-N
InChi Code	InChI=1S/C41H44N8O7/c42-38-36-37(27-6-8-31(9-7-27)56-30-4-2-1-3-5-30)46-49(39(36)44-26-43-38)29-14-16-47(17-15-29)18-19-53-20-21-54-22-23-55-32-10-11-33-28(24-32)25-48(41(33)52)34-12-13-35(50)45-40(34)51/h1-11,24,26,29,34H,12-23,25H2,(H2,42,43,44)(H,45,50,51)
Chemical Name	3-[6-[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Synonyms	SJF620 SJF-620
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
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	In cellular studies, SJF620 is a PROTAC that maintains effective BTK degradation, with a DC50 of 7.9 nM in the Burkitt's lymphoma cell line NAMALWA [1].
ln Vivo	SJF620 has better pharmacokinetic properties in mice (1 mg/kg; iv) with a half-life (t1/2) of 1.64 hours. The pharmacokinetic properties of SJF620 are much superior than those of MT802[1].
References	[1]. Design, synthesis and biological evaluation of Proteolysis Targeting Chimeras (PROTACs) as a BTK degraders with improved pharmacokinetic properties. 2020 Feb 1;30(3):126877.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~131.43 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.29 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 (3.29 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 (3.29 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	1.3143 mL	6.5717 mL	13.1434 mL
	5 mM	0.2629 mL	1.3143 mL	2.6287 mL
	10 mM	0.1314 mL	0.6572 mL	1.3143 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.