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Lefamulin acetate

CAT: 0013-GTR19216937-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216937-01Size:200 mg
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Description
Lefamulin acetate (BC-3781 acetate) is the first semi-synthetic pleuromutilin for systemic treatment of bacterial infections in humans. Lefamulin acetate (BC-3781 acetate) inhibits protein synthesis by binding to the peptidyl transferase center of the 50S bacterial ribosome, preventing the binding of transfer RNA for peptide transfer. Lefamulin acetate (BC-3781 acetate) is an orally active antibiotic for community-acquired bacterial pneumonia (CABP) treatment. (In Vitro) :Lefamulin has activity against gram-negative organisms, including Haemophilus influenza (MIC50=1 μg/ml; MIC90=0.12 μg/ml) and Moraxella cotarrhali (MIC50=2 μg/ml; MIC90=0.25 μg/ml) .Lefamulin acetate (BC-3781 acetate) has activity against the resistant gram-postive organisms, including taphylococcus aureus (MRSA) (MIC50=0.12 μg/ml; MIC90=0.25 μg/ml) ; β-Hemolytic strepococcus (MIC50=0.03 μg/ml; MIC90=0.03 μg/ml) ; Viridans group Streptococcus (MIC50=0.12 μg/ml; MIC90=0.5 μg/ml), Enterocossus faecium (MIC50=0.12 μg/ml; MIC90=4 μg/ml), Streptococcus pneumonia (MIC50=0.12 μg/ml; MIC90 =0.25 μg/ml) .
CAS Number
1350636-82-6
Product Name Alternative
BC-3781 acetate
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : ≥ 100 mg/mL (176.12 mM)
Smiles
CC (O) =O.[H][C@@]12C (=O) CCC11CC[C@@H] (C) C2 (C) [C@@H] (C[C@@] (C) (C=C) [C@@H] (O) [C@@H]1C) OC (=O) CS[C@@H]1CC[C@@H] (N) C[C@H]1O
Molecular Formula
C30H49NO7S
Molecular Weight
567.78
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Lefamulin Acetate

See also: Lefamulin (has active moiety).

CAS Number1350636-82-6
PubChem CID86346053
IUPAC Nameacetic acid;[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[(1R,2R,4R)-4-amino-2-hydroxycyclohexyl]sulfanylacetate
Molecular FormulaC30H49NO7S
Molecular Weight567.8
Topological Polar Surface Area172
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity882
SMILES
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C.CC(=O)O
InChI
InChI=1S/C28H45NO5S.C2H4O2/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28;1-2(3)4/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3;1H3,(H,3,4)/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+;/m1./s1
InChIKey
WSMXIQXWHPSVDE-ZPJPNJFZSA-N
Chemical Structure
2D Structure
2D structure of Lefamulin Acetate
CAS: 1350636-82-6
CID: 86346053
Formula: C30H49NO7S
MW: 567.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass567.32297408
Monoisotopic Mass567.32297408
Topological Polar Surface Area172 Ų
Heavy Atom Count39
Formal Charge0
Complexity882
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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