Methyl 2-(1H-indol-3-yl)acetate is an endogenously produced metabolite.

Physicochemical Properties

Molecular Formula	C11H11NO2
Molecular Weight	189.21
Exact Mass	189.078
CAS #	1912-33-0
Related CAS #	Methyl 2-(1H-indol-3-yl)acetate-d5;102415-39-4
PubChem CID	74706
Appearance	Brown to black <50°C powder,>52°C liquid
Density	1.2±0.1 g/cm3
Boiling Point	341.8±17.0 °C at 760 mmHg
Melting Point	50-52 °C
Flash Point	160.5±20.9 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.622
LogP	1.89
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Complexity	217
Defined Atom Stereocenter Count	0
SMILES	COC(=O)CC1=CNC2=C1C=CC=C2
InChi Key	KTHADMDGDNYQRX-UHFFFAOYSA-N
InChi Code	InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
Chemical Name	methyl 2-(1H-indol-3-yl)acetate
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	Human Endogenous Metabolite
Additional Infomation	Methyl (indol-3-yl)acetate is the methyl ester of indole-3-acetic acid. It has a role as an antineoplastic agent and a metabolite. It is a member of indoles and a methyl ester. It is functionally related to an indole-3-acetic acid. methyl 2-(1H-indol-3-yl)acetate has been reported in Penicillium commune, Glycine soja, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (264.26 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (13.21 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 25.0 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	5.2851 mL	26.4257 mL	52.8513 mL
	5 mM	1.0570 mL	5.2851 mL	10.5703 mL
	10 mM	0.5285 mL	2.6426 mL	5.2851 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.