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Valnemulin HCl - ≥95%, high purity , CAS No.133868-46-9

    Grade & Purity:
  • ≥95%
In stock
Item Number
V129592
Grouped product items
SKU Size
Availability
Price Qty
V129592-50mg
50mg
3
$261.90
V129592-250mg
250mg
3
$783.90
V129592-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$14,107.90

Broad-spectrum bacteriostatic agent

View related series
Antibiotic (1629) Bacterial (3013)

Basic Description

Synonyms DTXSID30158407 | Acetic acid, 2-[[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-yl ester, hydrochloride (1
Specifications & Purity ≥95%
Biochemical and Physiological Mechanisms Valnemulin hydrochloride is a salt derived from valnemulin, and is a broad spectrum antibiotic used to control gastrointestinal infections. Valnemulin inhibits protein synthesis by binding to domain V of 23S RNA. Valnemulin targets primarily bacteria of t
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description

Valnemulin HCl is a broad-spectrum bacteriostatic agent inhibiting protein synthesis in bacteria by binding to the peptidyl transferase component of the 50S subunit of ribosomes.
An antibiotic for gastrointestinal disorders, which works by being a protein synthesis inhibitor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Prenol lipids
Subclass Diterpenoids
Intermediate Tree Nodes Mutilane diterpenoids - Mutilin derivatives
Direct Parent Pleuromutilin and derivatives
Alternative Parents Valine and derivatives  Alpha amino acid amides  N-acyl amines  Secondary carboxylic acid amides  Secondary alcohols  Ketones  Carboxylic acid esters  Sulfenyl compounds  Monocarboxylic acids and derivatives  Dialkylthioethers  Organopnictogen compounds  Organic oxides  Monoalkylamines  Hydrochlorides  Hydrocarbon derivatives  
Molecular Framework Aliphatic homopolycyclic compounds
Substituents Pleuromutilin - Valine or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Primary amine - Aliphatic homopolycyclic compound
Description This compound belongs to the class of organic compounds known as pleuromutilin and derivatives. These are mutilins with a hydroxyacetate derivative attached to the C8 carbon atom of the cyclopenta[8]annulene moiety.
External Descriptors Not available

Associated Targets(non-human)

Pasteurella multocida (1166 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus epidermidis (22802 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Enterococcus faecium (13803 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name [(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-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate;hydrochloride
INCHI InChI=1S/C31H52N2O5S.ClH/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31;/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37);1H/t19-,20+,22-,24-,25+,26+,29-,30+,31+;/m1./s1
InChIKey MFBPRQKHDIVLOJ-AFFLPQGKSA-N
Smiles CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C.Cl
Isomeric 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)CSC(C)(C)CNC(=O)[C@@H](C(C)C)N)C.Cl
PubChem CID 60195218
Molecular Weight 601.28

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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Lot Number Certificate Type Date Item
A1705045 Certificate of Analysis May 06, 2024 V129592

Chemical and Physical Properties

Solubility DMSO 100 mg/mL Water 100 mg/mL Ethanol 100 mg/mL
Molecular Weight 601.300 g/mol
XLogP3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 10
Exact Mass 600.336 Da
Monoisotopic Mass 600.336 Da
Topological Polar Surface Area 144.000 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 969.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 2

Solution Calculators

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