Oleandomicina - Moligand™,≥95% , CAS No.3922-90-5

CAS: 3922-90-5 Cat. No.: O329477 Fórmula: C₃₅H₆₁NO₁₂ Peso molecular: 687.86

GRADE & PURITY Moligand™, ≥95%

Synonyms

3-Methoxy-2-(1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one | AB00513809 | Oleandomicina | SCHEMBL3717 | Seradix | Matromycin | Romicil | Iodohippurate | DB11442 | OLEANDOMYCIN [MI] | BSPBio_000284 | Amimycin | NCGC00179617-01 | OLEANDOMYCIN [WHO-DD] |

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

A oleandomicina é uma lactona macrocíclica com 16 membros. A oleandomicina é um antibiótico macrólido clássico produzido por estirpes de Streptomyces. A oleandomicina foi inicialmente desenvolvida como um antibiótico in vitro, mas desde então tem sido gradualmente eliminada e é atualmente utilizada em combinação in vitro com outros antibióticos. Estão em curso estudos para investigar o mecanismo biossintético da oleandomicina, o desenvolvimento de resistência à atividade antibiótica da oleandomicina e as enzimas reactivas envolvidas nestes processos.

Specifications

Sinónimos

3-Methoxy-2-(1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one | AB00513809 | Oleandomicina | SCHEMBL3717 | Seradix | Matromycin | Romicil | Iodohippurate | DB11442 | OLEANDOMYCIN [MI] | BSPBio_000284 | Amimycin | NCGC00179617-01 | OLEANDOMYCIN [WHO-DD] |

Especificações e pureza

Moligand™,≥95%

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Grau

Moligand™

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

O=C1[C@@H]([C@H]([C@H]([C@H](OC([C@@H]([C@H]([C@@H]([C@H]([C@H](C[C@@]12CO2)C)O[C@]3([C@@H]([C@H](C[C@H](O3)C)N(C)C)O)[H])C)O[C@@]4(O[C@H]([C@@H]([C@H](C4)OC)O)C)[H])C)=O)C)C)O)C

IUPAC Name

(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione

InChIKey

RZPAKFUAFGMUPI-QESOVKLGSA-N

INCHI

1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1

SMILES isoméricas

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C

RTECS

RJ9220000

Peso molecular

687.86

Reaxy-Rn

1361196

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361196&ln=

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 Oxanes Monosaccharides Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Ketones Lactones Oxacyclic compounds Acetals Dialkyl ethers Monocarboxylic acids and derivatives Epoxides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Acetal - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organonitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - Aliphatic heteropolycyclic compound
• Descrição: 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: Macrolides and lactone polyketides

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

Alvos associados (humanos)

Homo sapiens (32628 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

F2RL1 Tchem Proteinase-activated receptor 2 (703 Activities)

Discover Target: F2RL1

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Alvos associados (não humanos)

Pasteurella multocida (1166 Activities)

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Escherichia coli (133304 Activities)

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Mus musculus (284745 Activities)

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Burkholderia pseudomallei (576 Activities)

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oleD Oleandomycin glycosyltransferase (79 Activities)

Discover Target: oleD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol, methanol, DMSO, DMF, and water (slightly).
• Índice de refração: n20D1.53 (Predicted)
• Ponto de ebulição (°C): 802.56° C at 760 mmHg (Predicted)
• Peso molecular: 687.900 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 687.419 Da
• Monoisotopic Mass: 687.419 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 1090.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• 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: 1