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Safety Information

307270

Sigma-Aldrich

Benzofuran-2-carboxylic acid

99%

Synonym(s):

Coumarilic acid, Coumarone-2-carboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C9H6O3
CAS Number:
496-41-3
Molecular Weight:
162.14
Beilstein:
124204
EC Number:
207-818-9
MDL number:
MFCD00005848
UNSPSC Code:
12352100
PubChem Substance ID:
24858579
NACRES:
NA.22

Quality Level

100

Assay

99%

mp

193-196 °C (lit.)

functional group

carboxylic acid

SMILES string

OC(=O)c1cc2ccccc2o1

InChI

1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)

InChI key

OFFSPAZVIVZPHU-UHFFFAOYSA-N

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Application

Benzofuran-2-carboxylic acid was used in the synthesis of the oxymethyl-modified coumarinic acid-based cyclic DADLE (H-Tyr-D-Ala-Gly-Phe-D-Leu-OH) prodrug.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

307270-VAR:
307270-1G:
307270-BULK:
307270-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
STBC9864V
STBC7518V
STBC6781V
STBD2593V
STBC3030V

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Yibin Xiang et al.
Bioorganic & medicinal chemistry letters, 21(10), 3050-3056 (2011-04-22)
Novel benzofuran-2-carboxylic acids, exemplified by 29, 38 and 39, have been discovered as potent Pim-1 inhibitors using fragment based screening followed by X-ray structure guided medicinal chemistry optimization. The compounds demonstrate potent inhibition against Pim-1 and Pim-2 in enzyme assays.
H Ouyang et al.
The journal of peptide research : official journal of the American Peptide Society, 59(4), 183-195 (2002-04-26)
The coumarinic acid-based cyclic DADLE (H-Tyr-D-Ala-Gly-Phe-D-Leu-OH) prodrug 1a exhibited more favorable physicochemical properties than did DADLE for permeation across the intestinal mucosa. However, prodrug 1a, whose bioconversion to DADLE was slow, was subject to extensive biliary clearance when administered to

Global Trade Item Number

SKUGTIN
307270-5G4061826673379
307270-1G

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