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SML0317

Sigma-Aldrich

Aldi-2

≥95% (HPLC)

Synonym(s):

3-(Dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-1-propanone hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C12H16FNO2
CAS Number:
499997-25-0
Molecular Weight:
225.26
MDL number:
MFCD01817779
UNSPSC Code:
12352200
PubChem Substance ID:
329825322
NACRES:
NA.77

Assay

≥95% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

H2O: >5 mg/mL

storage temp.

2-8°C

SMILES string

COc1ccc(cc1F)C(=O)CCN(C)C

InChI

1S/C12H16FNO2/c1-14(2)7-6-11(15)9-4-5-12(16-3)10(13)8-9/h4-5,8H,6-7H2,1-3H3

InChI key

RNKMLXKYVDDHBX-UHFFFAOYSA-N

Biochem/physiol Actions

Aldi-2 is a potent and specific covalent inhibitor of aldehyde dehydrogenases. Apparently, Aldi-2 undergoes an enzyme-mediated β-elimination which generates a vinyl-ketone intermediate that covalently modifies the active site cysteine.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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