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

CAS: 3922-90-5 Cat. No.: O329477 Formule: C₃₅H₆₁NO₁₂ Poids moléculaire: 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

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Oleandomycin is a macrolide antibiotic structurally closely related to Erythromycin. Oleandomycin is similar to Erythromycin with antimicrobial activity. Oleandomycin inhibits protein synthesis by interference with translation of activated amino acids to nascent peptide chains on the ribosomes.

Specifications

Synonymes

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] |

Spécifications et pureté

Moligand™,≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥95%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

Homo sapiens (32628 Activities)

Explore this target

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

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

Cibles associées (non humaines)

Pasteurella multocida (1166 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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

Burkholderia pseudomallei (576 Activities)

Explore this target

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

oleD Oleandomycin glycosyltransferase (79 Activities)

Discover Target: oleD

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol, methanol, DMSO, DMF, and water (slightly).
• Indice de réfraction: n20D1.53 (Predicted)
• Point d'ébullition (°C): 802.56° C at 760 mmHg (Predicted)
• Poids moléculaire: 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