Acetyl Spiramycin - Potency ≥ 1200u/mg (on a dry basis) , CAS No.24916-51-6

CAS: 24916-51-6 Cat. No.: A353881 Formula: C₄₅H₇₆N₂O₁₅ Peso molecolare: 885.1 PubChem CID: 49787020

QUALITÀ & PUREZZA Potency ≥ 1200u/mg (on a dry basis)

Synonyms

Acetylspiramycin (TN)|Acetylspiramycin (ASPM)|SPIRAMYCIN 2 [WHO-DD]|[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-m|ASPM|A-SPM|Acetylspiramycin (JP17)|Spiramycin II;Foromacidin B|9-O-[(2R,5S,6R)-5-(Dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-3-acetate-leucomycin V|acetylspiramycin|Acetylspiramycin,(S)|[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoe|SPIRAMYCIN II [MI]|Spiramycin II|Acetylspiramycin (JP16)|Foromacidin B

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Acetyl Spiramycin is an antibiotic substance classified in the erythromycin-carbomycin group.

Specifiche

Sinonimi

Acetylspiramycin (TN) | Acetylspiramycin (ASPM) | SPIRAMYCIN 2 [WHO-DD] | [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-m | ASPM | A Mostra altro

Specifiche e purezza

Potency ≥ 1200u/mg (on a dry basis)

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Nomi e identificatori

Pubchem Sid

504770927

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770927

Sorrisi canonici

CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

IUPAC Name

[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate

InChIKey

ZPCCSZFPOXBNDL-ZSTSFXQOSA-N

INCHI

1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1

Isomeri SMILES

C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C

PubChem CID

49787020

Peso molecolare

885.1

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 Disaccharides O-glycosyl compounds Dicarboxylic acids and derivatives Oxanes Alpha-hydrogen aldehydes Tertiary alcohols 1,2-aminoalcohols Trialkylamines Amino acids and derivatives Carboxylic acid esters Secondary alcohols Lactones Acetals Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Disaccharide - Glycosyl compound - O-glycosyl compound - Dicarboxylic acid or derivatives - Oxane - Alpha-hydrogen aldehyde - Tertiary alcohol - Carboxylic acid ester - 1,2-aminoalcohol - Lactone - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Ether - Acetal - Organic oxide - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Alcohol - Aldehyde - Organonitrogen compound - Hydrocarbon derivative - 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: Ansamycins and related 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

Obiettivi associati (non umani)

Toxoplasma gondii (4585 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (1:50), ethanol (8.2 mg/ml), chloroform, methanol, and DMSO.
• Indice di rifrazione: n20D1.54
• Rotazione specifica [α]: α20/D -87.8°, c = 1 in methanol; α20/D -86°, c = 0.82 in ethanol
• Punto di ebollizione (°C): 916.68° C
• Punto di fusione (°C): 120-122° C
• Peso molecolare: 885.100 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 13
• Exact Mass: 884.525 Da
• Monoisotopic Mass: 884.525 Da
• Topological Polar Surface Area: 201.000 Ų
• Heavy Atom Count: 62
• Formal Charge: 0
• Complexity: 1480.000
• 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