A45009
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:
Molecular Weight:
155.15
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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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signalword
Warning
hcodes
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
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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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