ML115 is a molecular probe for signaling transducers and transcriptional activators. ML115 is a STAT3 agonist.

Physicochemical Properties

Molecular Formula	C15H15CLN2O4
Molecular Weight	322.74
Exact Mass	322.072
CAS #	912798-42-6
PubChem CID	6619100
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	422.9±45.0 °C at 760 mmHg
Flash Point	209.6±28.7 °C
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.619
LogP	2.61
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	22
Complexity	407
Defined Atom Stereocenter Count	0
InChi Key	FMWABCRYNLCXOJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H15ClN2O4/c1-20-13-6-10(14(21-2)5-9(13)16)17-15(19)11-7-12(22-18-11)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,19)
Chemical Name	N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
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

References	[1]. Spectroscopic investigations and molecular docking analysis of ML115: A potential molecular probe of the signal transducer and activator of transcription. Journal of Molecular Structure, 2019, 1175: 638-647.
Additional Infomation	N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide is an aromatic amide.

Solubility Data

Solubility (In Vitro)

DMSO: 20 mg/mL (61.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2 mg/mL (6.20 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 20.0 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	3.0985 mL	15.4923 mL	30.9847 mL
	5 mM	0.6197 mL	3.0985 mL	6.1969 mL
	10 mM	0.3098 mL	1.5492 mL	3.0985 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.