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Merck
CN

M2627

5-Methylindole-2-carboxylic acid

Synonym(s):

NSC 88873

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About This Item

Empirical Formula (Hill Notation):
C10H9NO2
CAS Number:
Molecular Weight:
175.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
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InChI

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

SMILES string

Cc1ccc2[nH]c(cc2c1)C(O)=O

InChI key

DAITVOCMWPNFTL-UHFFFAOYSA-N

Application

reactant in preparation of Pin1 inhibitors as potential antitumor agents
reactant in preparation of non-imidazole human histamine H4 receptor antagonists

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Andrew Potter et al.
Bioorganic & medicinal chemistry letters, 20(22), 6483-6488 (2010-10-12)
Pin1 is an emerging oncology target strongly implicated in Ras and ErbB2-mediated tumourigenesis. Pin1 isomerizes bonds linking phospho-serine/threonine moieties to proline enabling it to play a key role in proline-directed kinase signalling. Here we report a novel series of Pin1
Jill A Jablonowski et al.
Journal of medicinal chemistry, 46(19), 3957-3960 (2003-09-05)
Following the discovery of the human histamine H4 receptor, a high throughput screen of our corporate compound collection identified compound 6 as a potential lead. Investigation of the SAR resulted in the discovery of novel compounds 10e and 10l, which

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