IACS-8803 disodium is a potent cyclic dinucleotide STING agonist with potent systemic anti-tumor effects.

Physicochemical Properties

Molecular Formula	C20H23FN10O9P2S2.2NA
Molecular Weight	716.53
Exact Mass	736.018
CAS #	2243079-36-7
Related CAS #	IACS-8803 diammonium;IACS-8803;2095690-70-1
PubChem CID	171360943
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	2
Heavy Atom Count	46
Complexity	1180
Defined Atom Stereocenter Count	7
SMILES	OC1([H])[C@@]2([H])CO[P@](O[C@@]3([H])[C@@H](F)[C@H](N4C=NC5=C(N=CN=C45)N)O[C@]3([H])CO[P@](S)(=O)O[C@@]1([H])[C@H](N1C=NC3=C(N=CN=C13)N)O2)(S)=O.[NaH]
InChi Key	RTFZBFRTZGEDLP-WCYZRWMMSA-L
InChi Code	InChI=1S/C20H23FN10O9P2S2.2Na/c21-9-13-8(38-19(9)30-5-28-10-15(22)24-3-26-17(10)30)2-36-42(34,44)40-14-12(32)7(1-35-41(33,43)39-13)37-20(14)31-6-29-11-16(23)25-4-27-18(11)31;;/h3-9,12-14,19-20,32H,1-2H2,(H,33,43)(H,34,44)(H2,22,24,26)(H2,23,25,27);;/q;2*+1/p-2/t7-,8-,9-,12?,13-,14-,19-,20-,41?,42?;;/m1../s1
Chemical Name	disodium;(1R,6R,8R,9R,10R,15R,17R)-8,17-bis(6-aminopurin-9-yl)-9-fluoro-12-oxido-3-oxo-12-sulfanylidene-3-sulfido-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-18-ol
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 Vivo	Mice with bilateral B16-OVA melanomas have enhanced anticancer activity when administered intratumorally with IACS-8803 (10 µg)[1].
References	[1]. Discovery of IACS-8803 and IACS-8779, potent agonists of stimulator of interferon genes (STING) with robust systemic antitumor efficacy. Bioorg Med Chem Lett. 2019 Oct 15;29(20):126640.

Solubility Data

Solubility (In Vitro)	H2O: 56.67 mg/mL (76.74 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 50 mg/mL (67.70 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.3956 mL	6.9781 mL	13.9561 mL
	5 mM	0.2791 mL	1.3956 mL	2.7912 mL
	10 mM	0.1396 mL	0.6978 mL	1.3956 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.