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About This Item
Linear Formula:
(CH3)2CHCH2COCOONa
CAS Number:
Molecular Weight:
152.12
EC Number:
224-816-3
UNSPSC Code:
12352200
MDL number:
Beilstein/REAXYS Number:
4239297
InChI
1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1
InChI key
IXFAZKRLPPMQEO-UHFFFAOYSA-M
SMILES string
[Na+].CC(C)CC(=O)C([O-])=O
assay
98%
mp
275 °C (dec.) (lit.)
Application
Condensation with α-amino ketones and subsequent cyclization provides pyrazinones.
wgk
WGK 3
Storage Class
11 - Combustible Solids
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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D A Roberts et al.
Journal of medicinal chemistry, 33(9), 2326-2334 (1990-09-01)
A series of 1,2,4-triazolo[4,3-a]pyrazine derivatives with human renin inhibitory activity, which incorporate (1S,2S)-2-amino-1,3-dicyclohexyl-1-hydroxypropane, statine (Sta), and (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-pentanoic acid (ACHPA) transition-state mimetics, have been prepared. Structure-activity relationships for renin inhibitory activity in the series are consistent with the 2-[8-isobutyl-6-phenyl-1,2,4-triazolo[4,3-a]pyrazin-3-yl]-3-(3 pyridyl)propionic acid
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