278246
3-Cyano-6-methyl-2(1H)-pyridinone
97%
Synonym(s):
1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
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About This Item
Empirical Formula (Hill Notation):
C7H6N2O
CAS Number:
Molecular Weight:
134.14
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
97%
mp
293-295 °C (lit.)
functional group
nitrile
SMILES string
CC1=CC=C(C#N)C(=O)N1
InChI
1S/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3H,1H3,(H,9,10)
InChI key
FIMGYEKEYXUTGD-UHFFFAOYSA-N
General description
Supramolecular structures of coordination copper(I) compounds of 3-cyano-6-methyl-2(1H)-pyridinone has been investigated.
Application
3-Cyano-6-methyl-2(1H)-pyridinone has been used in the preparation of the N3′-pyridyl thiamine, a potent in vitro thiamine antagonist.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - 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 Information
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Allen A Thomas et al.
Bioorganic & medicinal chemistry letters, 18(6), 2206-2210 (2008-02-13)
Tumor cells extensively utilize the pentose phosphate pathway for the synthesis of ribose. Transketolase is a key enzyme in this pathway and has been suggested as a target for inhibition in the treatment of cancer. In a pharmacodynamic study, nude
Construction of three-dimensional supramolecular coordination copper (I) compounds with channel structures hosting a variety of anions by changing the hydrogen-bonding mode and distances.
Munakata M, et al.
Journal of the American Chemical Society, 118(13), 3117-3124 (1996)
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