Tilmicosin - ≥98%, mixture of isomers , CAS No.108050-54-0

CAS: 108050-54-0 Cat. No.: T492861 Formula: C₄₆H₈₀N₂O₁₃ Peso molecolare: 869.13 Numero EC: 639-676-2 PubChem CID: 5282521

GRADE & PURITY ≥98%, mixture of isomers

Synonyms

Tilmicosin|Micotil|108050-54-0|Tilmicosinum|Tilmicosina|Tilmicosine|EL-870|EL870|HSDB 7446|Tilmicosine [INN-French]|Tilmicosinum [INN-Latin]|LY-177370|Tilmicosina [INN-Spanish]|Ly177370|UNII-XL4103X2E3|DTXSID5046011|XL4103X2E3|NSC-759584|DTXCID3026011|Til

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

Tilmicosin | Micotil | 108050-54-0 | Tilmicosinum | Tilmicosina | Tilmicosine | EL-870 | EL870 | HSDB 7446 | Tilmicosine [INN-French] | Tilmicosinum [INN-Latin] | LY-177370 | Tilmicosina [INN-Spanish] | Ly177370 | UNII-XL4103X2E3 | DTXSID5046011 | XL4103X2E3 | NSC-759584 | DTXCID3026011 | Til

Specifiche e purezza

≥98%, mixture of isomers

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504763441
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763441
• Sorrisi canonici: CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC
• IUPAC Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
• InChIKey: JTSDBFGMPLKDCD-XVFHVFLVSA-N
• INCHI: 1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1
• Isomeri SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
• PubChem CID: 5282521
• Peso molecolare: 869.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Macrolides and analogues O-glycosyl compounds Monosaccharides Piperidines Oxanes 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Cyclic ketones Lactones Trialkylamines Secondary alcohols Dialkyl ethers Azacyclic compounds Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Glycosyl compound - O-glycosyl compound - Piperidine - Oxane - Monosaccharide - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Aldehyde - Amine - Organopnictogen compound - Organonitrogen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• 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

Obiettivi associati (non umani)

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Escherichia coli (133304 Activities)

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Enterococcus faecalis (29875 Activities)

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Bacillus cereus (7522 Activities)

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Mus musculus (284745 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO 100 mg/mL Water 8 mg/mL Ethanol
• Peso molecolare: 869.100 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 868.566 Da
• Monoisotopic Mass: 868.566 Da
• Topological Polar Surface Area: 186.000 Ų
• Heavy Atom Count: 61
• Formal Charge: 0
• Complexity: 1420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 19
• 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: 1

Riferimenti

1. Song Lianjun, Wang Youyi, Li Qingyue, Wang Jinkui, Gao Tian, An Zhaohuan, Liu Qinfang, Mao Yexuan, Bu Tong, Huang Xianqing, Ma Yan, Wang Zhanhui, Zhang Xiya.  (2023)  Production of monoclonal antibody against tylosin and tilmicosin with homogeneous cross-reactivity and its application in lateral flow immunoassay.  MICROCHIMICA ACTA,  191  (1): (1-12).  [PMID:38114730] [10.1007/s00604-023-06132-z]

2. Yu Wang, Jin-Yi Yang, Ying He, Lu Li, Jian-Xin Huang, Yuan-Xin Tian, Hong Wang, Zhen-Lin Xu, Yu-Dong Shen.  (2021)  Development of Time-Resolved Fluorescence Immunochromatographic Assays for Simultaneously Detecting Tylosin and Tilmicosin in Milk in Group-Screening Manner.  Foods,  10  (8): (1838).  [PMID:34441616] [10.3390/foods10081838]

3. Sandip Mondal, Jianqiao Xu, Guosheng Chen, Siming Huang, Chuyu Huang, Li Yin, Gangfeng Ouyang.  (2018)  Solid-phase microextraction of antibiotics from fish muscle by using MIL-101(Cr)NH2-polyacrylonitrile fiber and their identification by liquid chromatography-tandem mass spectrometry.  ANALYTICA CHIMICA ACTA,      [PMID:30567665] [10.1016/j.aca.2018.09.060]

4. Chan-Yuan YAO, Jin-Yi YANG, Zhen-Lin XU, Hong WANG, Hong-Tao LEI, Yuan-Ming SUN, Yuan-Xin TIAN, Yu-Dong SHEN.  (2018)  Indirect Competitive Enzyme-Linked Immunosorbent Assay for Detection of Tylosin in Milk and Water Samples.  CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,      [PMID:] [10.1016/S1872-2040(18)61106-5]

5. Jun Cheng, Qing Ye, Zongbo Yang, Weijuan Yang, Junhu Zhou, Kefa Cen.  (2016)  Microstructure and antioxidative capacity of the microalgae mutant Chlorella PY-ZU1 during tilmicosin removal from wastewater under 15% CO2.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:27829514] [10.1016/j.jhazmat.2016.11.006]