Mupirocin Calcium Salt - 10mM in DMSO , Isoleucyl-tRNA synthetase inhibitor, CAS No.115074-43-6, Isoleucyl-tRNA synthetase inhibitor

CAS: 115074-43-6 Cat. No.: M420725 Peso molecular: 1075.35 Número EC: 658-053-6 PubChem CID: 5282317

GRADE & PURITY 10mM in DMSO

Synonyms

Mupirocin calcium|Mupirocin calcium dihydrate|mupirocin calcium hydrate|115074-43-6|BRL 4910F|BRL-4910F|Calcium mupirocin dihydrate|mupirocin calcium salt|RG38I2P540|Bactroban (TN)|calcium;9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hyd

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Mupirocin calcium | Mupirocin calcium dihydrate | mupirocin calcium hydrate | 115074-43-6 | BRL 4910F | BRL-4910F | Calcium mupirocin dihydrate | mupirocin calcium salt | RG38I2P540 | Bactroban (TN) | calcium;9-[(E)-4-[(2S, 3R, 4R, 5S)-3, 4-dihydroxy-5-[[(2S, 3S)-3-[(2S, 3S)-3-hyd

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Tipo de acción

INHIBITOR

Mecanismo de acción

Isoleucyl-tRNA synthetase inhibitor

Nombres e identificadores

• Sonrisas canónicas: CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)C(C)O.CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)C(C)O.O.O.[Ca+2]
• IUPAC Name: calcium;9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate;dihydrate
• InChIKey: DDHVILIIHBIMQU-YJGQQKNPSA-L
• INCHI: 1S/2C26H44O9.Ca.2H2O/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;;;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);;2*1H2/q;;+2;;/p-2/b2*16-13+;;;/t2*17-,18-,19-,20-,21-,24+,25-,26-;;;/m00.../s1
• Isómeros SMILES: C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.O.O.[Ca+2]
• PubChem CID: 5282317
• Peso molecular: 1075.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Hydroxy fatty acids Epoxy fatty acids Fatty acid esters Oxanes Dicarboxylic acids and derivatives Monosaccharides Enoate esters Secondary alcohols Carboxylic acid salts Oxacyclic compounds Carboxylic acids Dialkyl ethers Organic calcium salts Epoxides Organic oxides Carbonyl compounds Organic zwitterions Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Medium-chain fatty acid - Branched fatty acid - Epoxy fatty acid - Fatty acid ester - Heterocyclic fatty acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Organic calcium salt - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic oxide - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic salt - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de fusión (°C): 125-137 °C
• Peso molecular: 1075.300 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 32
• Exact Mass: 1074.57 Da
• Monoisotopic Mass: 1074.57 Da
• Topological Polar Surface Area: 300.000 Ų
• Heavy Atom Count: 73
• Formal Charge: 0
• Complexity: 689.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 16
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 5

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