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

CAS: 24916-51-6 Cat. No.: A353881 분자식: C₄₅H₇₆N₂O₁₅ 분자량: 885.1 PubChem CID: 49787020

등급 & 순도 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

개요

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

사양

동의어

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 Show more

사양 및 순도

Potency ≥ 1200u/mg (on a dry basis)

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

Pubchem Sid

504770927

Pubchem Sid Url

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

정식 스마일

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

이성체 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

분자량

885.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

Toxoplasma gondii (4585 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (1:50), ethanol (8.2 mg/ml), chloroform, methanol, and DMSO.
• 굴절률: n20D1.54
• 특정 회전[α]: α20/D -87.8°, c = 1 in methanol; α20/D -86°, c = 0.82 in ethanol
• 끓는점(°C): 916.68° C
• 녹는점(°C): 120-122° C
• 분자량: 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