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Bicyclomycin benzoate

CAT: 0804-HY-101128-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101128-01Size:5 mg
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Description
Bicyclomycin benzoate is an antibiotic exhibiting activity against a broad spectrum of Gram-negative bacteria and against the Gram-positive bacterium.
CAS Number
37134-40-0
Product Name Alternative
FR2054
UNSPSC
12352005
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Bicyclomycin-benzoate.html
Concentration
10mM
Purity
99.78
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@H]([C@](NC1=O)(OCCC2=C)C(N[C@]12O)=O)[C@@](C)(O)COC(C3=CC=CC=C3)=O
Molecular Formula
C19H22N2O8
Molecular Weight
406.39
References & Citations
[1]Tanaka N, et al. Mechanism of action of bicyclomycin. J Antibiot (Tokyo) . 1976 Feb;29 (2) :155-68.|[2]Kohn H, et al. The molecular basis for the mode of action of bicyclomycin. Curr Drug Targets Infect Disord. 2005 Sep;5 (3) :273-95.|[3]Park HG, et al. Bicyclomycin and dihydrobicyclomycin inhibition kinetics of Escherichia coli rho-dependent transcription termination factor ATPase activity. Arch Biochem Biophys. 1995 Nov 10;323 (2) :447-54.|[4]Nishida M. et al. Bicyclomycin, a new antibiotic. IV. Absorption, excretion and tissue distribution. J Antibiot (Tokyo) . 1972 Oct;25 (10) :594-601.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bicyclomycin benzoate
CAS Number37134-40-0
PubChem CID91618023
IUPAC Name[(2S,3S)-2,3-dihydroxy-3-[(1S,6R)-6-hydroxy-5-methylidene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]decan-1-yl]-2-methylpropyl] benzoate
Molecular FormulaC19H22N2O8
Molecular Weight406.4
XLogP-0.7
Topological Polar Surface Area154
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity721
SMILES
C[C@](COC(=O)C1=CC=CC=C1)([C@@H]([C@@]23C(=O)N[C@@](C(=C)CCO2)(C(=O)N3)O)O)O
InChI
InChI=1S/C19H22N2O8/c1-11-8-9-29-19(16(25)20-18(11,27)15(24)21-19)14(23)17(2,26)10-28-13(22)12-6-4-3-5-7-12/h3-7,14,23,26-27H,1,8-10H2,2H3,(H,20,25)(H,21,24)/t14-,17-,18+,19-/m0/s1
InChIKey
YYGLCPHONATYBU-FZDIXFNVSA-N
Chemical Structure
2D Structure
2D structure of Bicyclomycin benzoate
CAS: 37134-40-0
CID: 91618023
Formula: C19H22N2O8
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP3-0.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass406.13761566
Monoisotopic Mass406.13761566
Topological Polar Surface Area154 Ų
Heavy Atom Count29
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B049-5MGBicyclomycin benzoate
A20581-100Bicyclomycin benzoate 100mg
A20581-50Bicyclomycin benzoate 50mg
A20581-25Bicyclomycin benzoate 25mg
A20581-5Bicyclomycin benzoate 5mg
A20581-10Bicyclomycin benzoate 10mg
B048-1MGBicyclomycin

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