(S)-ErSO is a right-handed ErSO. (S)-ErSO has no effect in MCF-7.

Physicochemical Properties

Molecular Formula	C22H13F6NO3
Molecular Weight	453.3339
Exact Mass	453.079
CAS #	2407860-34-6
Related CAS #	ErSO;2407860-35-7;(±)-ErSO;2407860-40-4
PubChem CID	149494441
Appearance	Typically exists as solid at room temperature
LogP	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	32
Complexity	682
Defined Atom Stereocenter Count	1
SMILES	C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)[C@@]2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC(F)(F)F
InChi Key	ZFSRXAHDJSCEDS-FQEVSTJZSA-N
InChi Code	InChI=1S/C22H13F6NO3/c23-21(24,25)17-3-1-2-16-18(17)29-19(31)20(16,12-4-8-14(30)9-5-12)13-6-10-15(11-7-13)32-22(26,27)28/h1-11,30H,(H,29,31)/t20-/m0/s1
Chemical Name	(3S)-3-(4-hydroxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1H-indol-2-one
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

ln Vitro	(-)-ErSO causes MCF-7 cells to die in response to a given dose. Inactive is (+)-l05[1].
References	[1]. David J. Shapiro, et al. Activators of the unfolded protein response. WO2020009958A1.

Solubility Data

Solubility (In Vitro)

DMSO: 190 mg/mL (419.12 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 4.75 mg/mL (10.48 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 47.5 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 2: ≥ 4.75 mg/mL (10.48 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 47.5 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	2.2059 mL	11.0295 mL	22.0590 mL
	5 mM	0.4412 mL	2.2059 mL	4.4118 mL
	10 mM	0.2206 mL	1.1029 mL	2.2059 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.