Methyl indole-3-carboxylate is a naturally occurring compound extracted from Sorangium cellulosum Soce895 strain. Methyl indole-3-carboxylate showed weak activity against Gram-positive (Gram+) Nocardia sp., with an MIC of 33.3 μg/mL.

Physicochemical Properties

Molecular Formula	C10H9NO2
Molecular Weight	175.18
Exact Mass	175.063
CAS #	942-24-5
PubChem CID	589098
Appearance	Off-white to pink solid powder
Density	1.3±0.1 g/cm3
Boiling Point	331.7±15.0 °C at 760 mmHg
Melting Point	149-152 °C(lit.)
Flash Point	154.4±20.4 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.639
LogP	2.54
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Complexity	205
Defined Atom Stereocenter Count	0
InChi Key	QXAUTQFAWKKNLM-UHFFFAOYSA-N
InChi Code	InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
Chemical Name	methyl 1H-indole-3-carboxylate
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

References	[1]. Nannozinones and sorazinones, unprecedented pyrazinones from myxobacteria. J Nat Prod. 2014 Nov 26;77(11):2545-52.
Additional Infomation	Methyl indole-3-carboxylate is the methyl ester of indole-3-carboxylic acid. It has a role as a metabolite. It is a member of indoles and a methyl ester. It is functionally related to an indole-3-carboxylic acid. Methyl indole-3-carboxylate has been reported in Balansia epichloe, Zymoseptoria tritici, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (570.84 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (14.27 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (14.27 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 25.0 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (14.27 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 25.0 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	5.7084 mL	28.5421 mL	57.0841 mL
	5 mM	1.1417 mL	5.7084 mL	11.4168 mL
	10 mM	0.5708 mL	2.8542 mL	5.7084 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.