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Merck
CN

198986

4-Methyl-2-oxopentanoic acid sodium salt hydrate

≥98%

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About This Item

Linear Formula:
(CH3)2CHCH2COCO2Na · xH2O
CAS Number:
Molecular Weight:
152.12 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
MDL number:
Assay:
≥98%
Form:
solid
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InChI

1S/C6H10O3.Na.H2O/c1-4(2)3-5(7)6(8)9;;/h4H,3H2,1-2H3,(H,8,9);;1H2/q;+1;/p-1

SMILES string

O.[Na+].CC(C)CC(=O)C([O-])=O

InChI key

FUDIEMDWYRETTC-UHFFFAOYSA-M

assay

≥98%

form

solid

mp

280 °C (dec.) (lit.)

Application

Condensation with α-amino ketones and subsequent cyclization provides pyrazinones.

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Heterocycles, 31, 1647-1647 (1990)
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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