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A45009

Sigma-Aldrich

Ethyl 3-aminopyrazole-4-carboxylate

98%

Synonym(s):

3-Amino-4-carbethoxypyrazole

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About This Item

Empirical Formula (Hill Notation):
C6H9N3O2
CAS Number:
6994-25-8
Molecular Weight:
155.15
EC Number:
230-262-3
MDL number:
MFCD00005238
UNSPSC Code:
12352100
PubChem Substance ID:
24890871
NACRES:
NA.22

assay

98%

form

powder

mp

105-107 °C (lit.)

SMILES string

CCOC(=O)c1c[nH]nc1N

InChI

1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)

InChI key

YPXGHKWOJXQLQU-UHFFFAOYSA-N

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Gemma N Ferguson et al.
Journal of medicinal chemistry, 51(19), 6165-6172 (2008-09-06)
A pharmacophore-based screen identified 32 compounds including ethyl 5-amino-3-(4- tert-butylphenyl)-4-oxo-3,4-dihydrothieno[3,4- d]pyridazine-1-carboxylate ( 8) as a new allosteric modulator of the adenosine A1 receptor (A1AR). On the basis of this lead, various derivatives were prepared and evaluated for activity at the

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