Home Amines 101312-92-9
101312-92-9,MFCD09832850
Catalog No.:AA01DPYB

101312-92-9 | Acetic acid,[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester

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5mg
≥98%
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$226.00   $158.00
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25mg
≥98%
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01DPYB
Chemical Name:
Acetic acid,[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester
CAS Number:
101312-92-9
Molecular Formula:
C31H52N2O5S
Molecular Weight:
564.8200
MDL Number:
MFCD09832850
SMILES:
C=C[C@]1(C)C[C@@H](OC(=O)CSC(CNC(=O)[C@@H](C(C)C)N)(C)C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3
Properties
Computed Properties
 
Complexity:
969  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
10  
XLogP3:
5.3  

Literature

Title: Why are most phospholipidosis inducers also hERG blockers?

Journal: Archives of toxicology 20171201

Title: Novel pleuromutilin derivatives as antibacterial agents: synthesis, biological evaluation and molecular docking studies.

Journal: Bioorganic & medicinal chemistry letters 20121001

Title: A click chemistry approach to pleuromutilin derivatives, part 2: conjugates with acyclic nucleosides and their ribosomal binding and antibacterial activity.

Journal: Journal of medicinal chemistry 20120308

Title: Pleuromutilin and its derivatives-the lead compounds for novel antibiotics.

Journal: Mini reviews in medicinal chemistry 20120101

Title: Antimicrobial susceptibility of Brachyspira hyodysenteriae isolated from 21 Polish farms.

Journal: Polish journal of veterinary sciences 20120101

Title: Pharmacokinetics and bioavailability of valnemulin in Muscovy ducks (Cairina moschata).

Journal: British poultry science 20120101

Title: Curative effect of topical treatment of digital dermatitis with a gel containing activated copper and zinc chelate.

Journal: The Veterinary record 20111119

Title: Species characterization and minimum inhibitory concentration patterns of Brachyspira species isolates from swine with clinical disease.

Journal: Journal of veterinary diagnostic investigation : official publication of the American Association of Veterinary Laboratory Diagnosticians, Inc 20111101

Title: Antimicrobial susceptibility pattern of Brachyspira intermedia isolates from European layers.

Journal: Microbial drug resistance (Larchmont, N.Y.) 20110901

Title: Single and dual mutations at positions 2058, 2503 and 2504 of 23S rRNA and their relationship to resistance to antibiotics that target the large ribosomal subunit.

Journal: The Journal of antimicrobial chemotherapy 20110901

Title: Antimicrobial susceptibility of Brachyspira spp. isolated from commercial laying hens and free-living wild mallards (Anas platyrhynchos).

Journal: Avian pathology : journal of the W.V.P.A 20110801

Title: A physiologically based pharmacokinetic model for valnemulin in rats and extrapolation to pigs.

Journal: Journal of veterinary pharmacology and therapeutics 20110601

Title: Pharmacokinetics and bioavailability of valnemulin in broiler chickens.

Journal: Journal of veterinary pharmacology and therapeutics 20110601

Title: Cloning and characterization of an Armillaria gallica cDNA encoding protoilludene synthase, which catalyzes the first committed step in the synthesis of antimicrobial melleolides.

Journal: The Journal of biological chemistry 20110304

Title: Characterisation of multiresistant Brachyspira hyodysenteriae isolates from Czech pig farms.

Journal: The Veterinary record 20110226

Title: Molecularly imprinted solid-phase extraction for the selective determination of valnemulin in feeds with high performance liquid chromatography.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20110115

Title: Characterization of in vivo-acquired resistance to macrolides of Mycoplasma gallisepticum strains isolated from poultry.

Journal: Veterinary research 20110101

Title: In vitro antimicrobial susceptibility of Brachyspira hyodysenteriae strains isolated in Japan from 1985 to 2009.

Journal: The Journal of veterinary medical science 20101201

Title: Preventive effects of valnemulin on lipopolysaccharide-induced acute lung injury in mice.

Journal: Inflammation 20101001

Title: Mutations in 23S rRNA gene associated with decreased susceptibility to tiamulin and valnemulin in Mycoplasma gallisepticum.

Journal: FEMS microbiology letters 20100701

Title: Residue depletion of valnemulin in swine tissues after oral administration.

Journal: Analytica chimica acta 20100401

Title: The pleuromutilin antibiotics: a new class for human use.

Journal: Current opinion in investigational drugs (London, England : 2000) 20100201

Title: Mutilins derivatives: from veterinary to human-used antibiotics.

Journal: Mini reviews in medicinal chemistry 20091001

Title: Antimicrobial susceptibility testing of Spanish field isolates of Brachyspira hyodysenteriae.

Journal: Research in veterinary science 20090801

Title: Valnemulin downregulates nitric oxide, prostaglandin E2, and cytokine production via inhibition of NF-kappaB and MAPK activity.

Journal: International immunopharmacology 20090701

Title: In vitro antimicrobial activity against 10 North American and European Lawsonia intracellularis isolates.

Journal: Veterinary microbiology 20090302

Title: Single 23S rRNA mutations at the ribosomal peptidyl transferase centre confer resistance to valnemulin and other antibiotics in Mycobacterium smegmatis by perturbation of the drug binding pocket.

Journal: Molecular microbiology 20090301

Title: Rapid determination of five antibiotic residues in swine wastewater by online solid-phase extraction-high performance liquid chromatography-tandem mass spectrometry.

Journal: Analytical and bioanalytical chemistry 20090201

Title: Comprehensive screening and quantification of veterinary drugs in milk using UPLC-ToF-MS.

Journal: Analytical and bioanalytical chemistry 20080701

Title: [Multiresistant Brachyspira hyodysenteriae in a Dutch sow herd].

Journal: Tijdschrift voor diergeneeskunde 20080701

Title: Isolation and characterization of Treponema phagedenis-like spirochetes from digital dermatitis lesions in Swedish dairy cattle.

Journal: Acta veterinaria Scandinavica 20080101

Title: Tiamulin resistance in porcine Brachyspira pilosicoli isolates.

Journal: Research in veterinary science 20060201

Title: The efficacy of valnemulin (Econor) in the control of disease caused by experimental infection of calves with Mycoplasma bovis.

Journal: Research in veterinary science 20050601

Title: Comparison of methods for antimicrobial susceptibility testing and MIC values for pleuromutilin drugs for Brachyspira hyodysenteriae isolated in Germany.

Journal: Veterinary microbiology 20040819

Title: Decreased susceptibility to tiamulin and valnemulin among Czech isolates of Brachyspira hyodysenteriae.

Journal: Journal of medical microbiology 20040401

Title: In vitro susceptibility of 21 antimicrobial agents to 37 isolates of Brachyspira hyodysenteriae isolated from pigs in Okinawa Prefecture.

Journal: The Journal of veterinary medical science 20040301

Title: Antimicrobial susceptibility testing of Australian isolates of Brachyspira hyodysenteriae using a new broth dilution method.

Journal: Veterinary microbiology 20020103

Title: Treatment of pigs experimentally infected with Mycoplasma hyopneumoniae, Pasteurella multocida, and Actinobacillus pleuropneumoniae with various antibiotics.

Journal: Canadian journal of veterinary research = Revue canadienne de recherche veterinaire 20011001

Title: Comparison of valnemulin and lincomycin in the treatment of digital dermatitis by individually applied topical spray.

Journal: The Veterinary record 20010908

Title: The pleuromutilin drugs tiamulin and valnemulin bind to the RNA at the peptidyl transferase centre on the ribosome.

Journal: Molecular microbiology 20010901

Title: Susceptibility to pleuromutilins in Brachyspira (Serpulina) hyodysenteriae.

Journal: Animal health research reviews 20010601

Title: Use of valnemulin in the control of Mycoplasma bovis infection under field conditions.

Journal: The Veterinary record 20010331

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Tags:101312-92-9 Molecular Formula|101312-92-9 MDL|101312-92-9 SMILES|101312-92-9 Acetic acid,[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester