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578495

Sigma-Aldrich

Methyl indole-6-carboxylate

97%

Synonym(s):

Indole-6-carboxylic acid methyl ester

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About This Item

Empirical Formula (Hill Notation):
C10H9NO2
CAS Number:
50820-65-0
Molecular Weight:
175.18
MDL number:
MFCD00211063
UNSPSC Code:
12352100
PubChem Substance ID:
24880929
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

76-80 °C (lit.)

SMILES string

COC(=O)c1ccc2cc[nH]c2c1

InChI

1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3

InChI key

AYYOZKHMSABVRP-UHFFFAOYSA-N

Application

Reactant for preparation of:
Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
Inhibitor of botulinum neurotoxin
ITK inhibitors
Antibacterial agents
CB2 cannabinoid receptor ligands
Inhibitors of hepatitis C virus NS5B polymerase
Inhibitors with histamine H1-blocking activity

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
85896HM
54096DJ
05231EH
05331EH
06711TE

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Thomas Heine et al.
Applied biochemistry and biotechnology, 181(4), 1590-1610 (2016-11-11)
The enantioselective epoxidation of styrene and related compounds by two-component styrene monooxygenases (SMOs) has targeted these enzymes for development as biocatalysts. In the present work, we prepare genetically engineered fusion proteins that join the C-terminus of the epoxidase (StyA) to

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