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Key Documents

SML1407

Sigma-Aldrich

ML406

≥98% (HPLC)

Synonym(s):

1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone

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About This Item

Empirical Formula (Hill Notation):
C20H20N2O4
CAS Number:
Molecular Weight:
352.38
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 5 mg/mL, clear (warmed)

Storage temp.

2-8°C

SMILES string

O=C(C1=CC(OCO2)=C2C=C1)N3CCN(C4=CC=C(C(C)=O)C=C4)CC3

InChI

1S/C20H20N2O4/c1-14(23)15-2-5-17(6-3-15)21-8-10-22(11-9-21)20(24)16-4-7-18-19(12-16)26-13-25-18/h2-7,12H,8-11,13H2,1H3

InChI key

DMJGPASMZSNEAZ-UHFFFAOYSA-N

Biochem/physiol Actions

ML406 is an iInhibitor of aminotranferase BioA, the enzyme that catalyzes the second-to-last step of biotin synthesis in Mycobacterium tuberculosis (TB).
ML406 is an iInhibitor of aminotranferase BioA, the enzyme that catalyzes the second-to-last step of biotin synthesis in Mycobacterium tuberculosis (TB). ML406 has an IC50 of 155 nM and an EC50 of 9.3 μM with best cellular activity tested in a TB strain with limited biotin formation relative to wild type confirming mechanism of action.

pictograms

Environment

signalword

Warning

hcodes

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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