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MedKoo Cat#: 562575 | Name: ML406
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

ML406 is a whole-cell active inhibitor of biotin biosynthesis in mycobacterium tuberculosis.

Chemical Structure

ML406
ML406
CAS#774589-47-8

Theoretical Analysis

MedKoo Cat#: 562575

Name: ML406

CAS#: 774589-47-8

Chemical Formula: C20H20N2O4

Exact Mass: 352.1423

Molecular Weight: 352.39

Elemental Analysis: C, 68.17; H, 5.72; N, 7.95; O, 18.16

Price and Availability

Size Price Availability Quantity
5mg USD 270.00 2 weeks
25mg USD 640.00 2 weeks
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Related CAS #
No Data
Synonym
ML406; ML-406; ML 406;
IUPAC/Chemical Name
1-[4-[4-(1,3-Benzodioxole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
InChi Key
DMJGPASMZSNEAZ-UHFFFAOYSA-N
InChi Code
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
SMILES Code
CC(C1=CC=C(N2CCN(C(C3=CC=C(OCO4)C4=C3)=O)CC2)C=C1)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
ML406 is a small molecule probe that shows anti-tubercular activity via M.tuberculosis BioA (DAPA synthase) enzyme inhibition with an IC50 of 30 nM.
In vitro activity:
TBD
In vivo activity:
TBD
Solvent mg/mL mM comments
Solubility
DMSO 85.0 241.21
Ethanol 3.0 8.51
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 352.39 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD