SID7970631, an isoquinolinone analogue, is a potent and specific submicromolar SF-1 inhibitor (IC50=260 nM). SID7970631 may be utilized in cancer research.

Physicochemical Properties

Molecular Formula	C24H24N2O7
Molecular Weight	452.46
Exact Mass	452.158
CAS #	868224-75-3
PubChem CID	4289057
Appearance	White to off-white solid powder
LogP	2.767
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	33
Complexity	757
Defined Atom Stereocenter Count	0
SMILES	CCOC(C(C)OC1C2=CC=N(CC(NCC3=CC4OCOC=4C=C3)=O)C(=O)=C2C=CC=1)=O
InChi Key	NFBXJAYFPJYHPU-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
Chemical Name	ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
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

Targets	IC50: 255 nM (SF-1)[1][2]
ln Vitro	SID7970631 (CHO-K1 cells) exhibits cytotoxicity at half of its highest level. In the SF-1 experiment, SID7970631 dose-dependently suppresses luciferase expression; the IC50 value is 255 nM. SW-13 cells as well as on other cells[1][2].
References	[1]. Potent, selective and cell penetrant inhibitors of SF-1 by functional ultra-high-throughput screening. Mol Pharmacol. 2008;73(6):1776-1784. [2]. Identification and characterization of steroidogenic factor-1 inverse agonists. Methods Enzymol. 2010;485:3-23.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (221.01 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.53 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	2.2101 mL	11.0507 mL	22.1014 mL
	5 mM	0.4420 mL	2.2101 mL	4.4203 mL
	10 mM	0.2210 mL	1.1051 mL	2.2101 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.