DSHS00884 (SSYA-10-001; CCG-45281) is a novel and potent papillomavirus E6 inhibitor and a replication inhibitor of severe acute respiratory syndrome (SARS), mouse hepatitis, and Middle East respiratory syndrome coronaviruses.

Physicochemical Properties

Molecular Formula	C12H12N4O2S2
Molecular Weight	308.379279136658
Exact Mass	308.04
CAS #	675104-49-1
Related CAS #	675104-49-1;SSYA10-001 HCl;
PubChem CID	2807230
Appearance	Off-white to light yellow solid powder
LogP	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	20
Complexity	436
Defined Atom Stereocenter Count	0
SMILES	S(C1C=CC=CC=1[N+](=O)[O-])CC1=NNC(N1CC=C)=S
InChi Key	VWFIHGWHMXSTAO-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H12N4O2S2/c1-2-7-15-11(13-14-12(15)19)8-20-10-6-4-3-5-9(10)16(17)18/h2-6H,1,7-8H2,(H,14,19)
Chemical Name	3-[(2-nitrophenyl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Synonyms	DSHS 00884 DSHS-00884 DSHS00884
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

ln Vitro	DSHS00884, which has an IC50 of 2.5–25 μM, stabilizes p53 levels in HPV-positive cells by preventing E6-mediated p53 degradation[1].
References	[1]. Identification and characterization of small molecule human papillomavirus E6 inhibitors. ACS Chem Biol. 2014 Jul 18;9(7):1603-12.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~810.69 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.74 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 20.8 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: ≥ 2.08 mg/mL (6.74 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 20.8 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2428 mL	16.2138 mL	32.4275 mL
	5 mM	0.6486 mL	3.2428 mL	6.4855 mL
	10 mM	0.3243 mL	1.6214 mL	3.2428 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.