SJ995973 is a unique and effective BET protein degrader (PROTAC).

Physicochemical Properties

Molecular Formula	C37H40CLN7O5S
Molecular Weight	730.275405883789
Exact Mass	729.25
CAS #	2882065-25-8
PubChem CID	162641697
Appearance	Off-white to light yellow solid powder
LogP	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	13
Heavy Atom Count	51
Complexity	1280
Defined Atom Stereocenter Count	1
SMILES	ClC1C=CC(=CC=1)C1C2C(C)=C(C)SC=2N2C(C)=NN=C2[C@H](CC(NCCCCCNC(COC2C=CC(=CC=2)C2C(NC(CC2)=O)=O)=O)=O)N=1
InChi Key	VVRONDSUSMJAEI-XIJSCUBXSA-N
InChi Code	InChI=1S/C37H40ClN7O5S/c1-21-22(2)51-37-33(21)34(25-7-11-26(38)12-8-25)41-29(35-44-43-23(3)45(35)37)19-31(47)39-17-5-4-6-18-40-32(48)20-50-27-13-9-24(10-14-27)28-15-16-30(46)42-36(28)49/h7-14,28-29H,4-6,15-20H2,1-3H3,(H,39,47)(H,40,48)(H,42,46,49)/t28?,29-/m0/s1
Chemical Name	2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]pentyl]acetamide
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 and light.
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]. Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs. Angew Chem Int Ed Engl. 2021 Dec 13;60(51):26663-26670.

Solubility Data

Solubility (In Vitro)

DMSO :~100 mg/mL (~136.93 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.42 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 (3.42 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	1.3693 mL	6.8467 mL	13.6934 mL
	5 mM	0.2739 mL	1.3693 mL	2.7387 mL
	10 mM	0.1369 mL	0.6847 mL	1.3693 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.