A3051 is a potent and orally bioactive inhibitor of CXXC5-DVL with IC50 of 63.06 nM. A3334 may be utilized to study high-fat diet (HFD) and methionine-choline-deficient diet (MCD) induced diseases, such as obesity, diabetes and NASH. For more details, check and find the patent document WO2020079569.

Physicochemical Properties

Molecular Formula	C17H13N3O3
Molecular Weight	307.303423643112
Exact Mass	307.095
CAS #	854171-31-6
PubChem CID	136026170
Appearance	Brown to reddish brown solid powder
LogP	3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	23
Complexity	449
Defined Atom Stereocenter Count	0
InChi Key	NNFVURTYXFYQFZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H13N3O3/c1-23-9-6-7-13-11(8-9)14(17(21)19-13)16-15(20-22)10-4-2-3-5-12(10)18-16/h2-8,18-19,21H,1H3
Chemical Name	5-methoxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-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
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: 63.06 nM (CXXC5-DVL)[1]
ln Vitro	Through the Wnt/β-eatenin signaling pathway, A3334 (1–10 μM) effectively prevents 3T3-L1 preadipocytes from differentiating into adipocytes[1]. In HEK293-TOP cells, A3334 (1–10 μM; 24 h) increases TOPFlash reporter activity [1].
ln Vivo	In mice on a high-fat diet (HFD), A3334 (25 mg/kg; po once daily for 16 weeks) exhibits anti-obesity benefits; in mice fed a regular diet, it has no effect[1]. A3334 (25 mg/kg; po once daily for 5 days) dramatically lowers blood levels of insulin tolerance (ITT) and glucose tolerance (GTT) in mice as well as fasting glucose[1]. In mice, hepatosteatosis and elevated levels of alanine transaminase (ALT) and aspartate transaminase (AST) are markedly reduced by A3334 (25 mg/kg; po once daily for 3 weeks)[1].
Animal Protocol	Animal/Disease Models: Male C57BL/6N mice (6weeks old) are fed on the high fat die (HFD) for 16 weeks[1] Doses: 25 mg/kg Route of Administration: Po daily for 16 weeks Experimental Results: Not observed the HFD-induced body weight gain and abdominal obesity. decreased the level of triglyceride and total cholesterol and increased the level of HDL-cholesterol. Suppressed the increase in adipocyte cell sizes and enhancement of inflammation.
References	[1]. Choi KY, et, al. Compositions and methods for suppressing and/or treating metabolic diseases and/or a clinical condition thereof. WO2020079569.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (813.54 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.77 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2541 mL	16.2707 mL	32.5415 mL
	5 mM	0.6508 mL	3.2541 mL	6.5083 mL
	10 mM	0.3254 mL	1.6271 mL	3.2541 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.