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MenA-IN-2

CAT: 0013-GTR19219648-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219648-02Size:10 mg
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Description
MenA-IN-2 is a potent inhibitor of the 1,4-dihydroxy-2-naphthoate prenyltransferase (MenA), exhibiting IC50 values of 22 μM against the enzyme and 10 μM against Mycobacterium tuberculosis. This small molecule is a valuable research tool for studying menaquinone biosynthesis and for conducting antitubercular assays in vitro.
CAS Number
3026690-49-0
Product Name Alternative
MenAIN2, MenA-IN-2, MenA
Field of Research
Infectious Disease & Virology
Purity
99.76% (May vary between batches)
Solubility
DMSO:225 mg/mL (581.46 mM) ;10% DMSO+90% Corn Oil:3.3 mg/mL (8.53 mM)
Smiles
CCCN (C) c1ccc (CN2CCC (COc3ccc (Cl) cc3) CC2) cc1
Molecular Formula
C23H31ClN2O
Molecular Weight
386.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MenA-IN-2
CAS Number3026690-49-0
PubChem CID166642587
IUPAC Name4-[[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]methyl]-N-methyl-N-propylaniline
Molecular FormulaC23H31ClN2O
Molecular Weight387.0
XLogP5.8
Topological Polar Surface Area15.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity397
SMILES
CCCN(C)C1=CC=C(C=C1)CN2CCC(CC2)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H31ClN2O/c1-3-14-25(2)22-8-4-19(5-9-22)17-26-15-12-20(13-16-26)18-27-23-10-6-21(24)7-11-23/h4-11,20H,3,12-18H2,1-2H3
InChIKey
IELKIDMEJICGCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MenA-IN-2
CAS: 3026690-49-0
CID: 166642587
Formula: C23H31ClN2O
MW: 387.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.0
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass386.2124913
Monoisotopic Mass386.2124913
Topological Polar Surface Area15.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity397
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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