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MSU-44147

CAT: 0013-GTR19272841-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272841-01Size:1 mg
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Description
MSU-44147 is a small-molecule inhibitor that targets the membrane transport protein MmpL3 in Mycobacterium abscessus. MSU-44147 exhibits selective anti-mycobacterial activity and low cytotoxicity toward eukaryotic cells. By inhibiting MmpL3-mediated lipid transport, MSU-44147 disrupts cell wall synthesis and biofilm formation, and exhibits bactericidal activity against intracellular bacteria; simultaneously, it produces additive or synergistic effects when used in combination with various antibiotics.
CAS Number
3105177-29-2
Purity
99.81% (May vary between batches)
Smiles
O=C (NCCC1=CC=C (C=C1) C (F) (F) F) C2 (C) CCCCC2
Molecular Formula
C17H22F3NO
Molecular Weight
313.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CAS Number3105177-29-2
PubChem CID177969768
IUPAC Name1-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
Molecular FormulaC17H22F3NO
Molecular Weight313.36
XLogP4.8
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity367
SMILES
CC1(CCCCC1)C(=O)NCCC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C17H22F3NO/c1-16(10-3-2-4-11-16)15(22)21-12-9-13-5-7-14(8-6-13)17(18,19)20/h5-8H,2-4,9-12H2,1H3,(H,21,22)
InChIKey
ZTOAHKIMWSCRCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CAS: 3105177-29-2
CID: 177969768
Formula: C17H22F3NO
MW: 313.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.36
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass313.16534881
Monoisotopic Mass313.16534881
Topological Polar Surface Area29.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity367
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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