Glucocorticoid receptor agonist-1 is a potent and specific glucocorticoid receptor agonist/activator with IC50 of 2.8 nM. For more details, check and find compound 41 from the patent WO2017210471A1.

Physicochemical Properties

Molecular Formula	C35H39NO6
Molecular Weight	569.6873
Exact Mass	569.277
CAS #	2166375-82-0
PubChem CID	134491939
Appearance	White to off-white solid powder
LogP	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	42
Complexity	1160
Defined Atom Stereocenter Count	9
SMILES	O1[C@]([H])(C2C([H])=C([H])C(C([H])([H])C3C([H])=C([H])C([H])=C(C=3[H])N([H])[H])=C([H])C=2[H])O[C@]2([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])C5=C([H])C(C([H])=C([H])[C@]5(C([H])([H])[H])[C@@]4([H])[C@]([H])(C([H])([H])[C@]3(C([H])([H])[H])[C@]12C(C([H])([H])O[H])=O)O[H])=O
InChi Key	MPEPSOPXQDGEHP-WWBNNTNKSA-N
InChi Code	InChI=1S/C35H39NO6/c1-33-13-12-25(38)16-23(33)10-11-26-27-17-30-35(29(40)19-37,34(27,2)18-28(39)31(26)33)42-32(41-30)22-8-6-20(7-9-22)14-21-4-3-5-24(36)15-21/h3-9,12-13,15-16,26-28,30-32,37,39H,10-11,14,17-19,36H2,1-2H3/t26-,27-,28-,30+,31+,32+,33-,34-,35+/m0/s1
Chemical Name	(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[4-[(3-aminophenyl)methyl]phenyl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-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: This product requires protection from light (avoid light exposure) during transportation and storage.
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: 2.8 nM (Glucocorticoid receptor)[1]
ln Vitro	In order to treat autoimmune diseases like rheumatoid arthritis, juvenile idiopathic arthritis, psoriatic arthritis, ankylosing spondylitis, adult and pediatric Crohn's disease, ulcerative colitis, plaque psoriasis, hidradenitis suppurativa, uveitis, Behcets disease, a spondyloarthropathy, or psoriasis, glucose-agonist immunoconjugates bind to the glucose receptor.
References	[1]. Glucocorticoid receptor agonist and immunoconjugates thereof. WO2017210471A1.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (175.53 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.39 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	1.7553 mL	8.7767 mL	17.5534 mL
	5 mM	0.3511 mL	1.7553 mL	3.5107 mL
	10 mM	0.1755 mL	0.8777 mL	1.7553 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.