ミデカマイシン - ≥97% , CAS No.35457-80-8

CAS: 35457-80-8 Cat. No.: M329317 分子式: C₄₁H₆₇NO₁₅ 分子量: 814 EC番号: 252-578-0 PubChem CID: 5282169

グレード＆純度 ≥97%

Synonyms

EINECS 252-578-0 | YL 704 B1 | MIDECAMYCIN [JAN] | Tox21_110635 | Midecamicina [INN-Spanish] | Antibiotic YL 704 B1 | D01339 | Midecamycine [INN-French] | NCGC00016830-01 | Espinomycin A | sf-837 | Turimycin P(sub 3) | DB13456 | Medecamycin A1 | N34Z0Y5UH

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要

ミデカマイシンはアセトキシ置換マクロライド系抗生物質で、グラム陽性菌とグラム陰性菌に対して試験される。

仕様

同義語

EINECS 252-578-0 | YL 704 B1 | MIDECAMYCIN [JAN] | Tox21_110635 | Midecamicina [INN-Spanish] | Antibiotic YL 704 B1 | D01339 | Midecamycine [INN-French] | NCGC00016830-01 | Espinomycin A | sf-837 | Turimycin P(sub 3) | DB13456 | Medecamycin A1 | N34Z0Y5UH

仕様と純度

≥97%

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥97%

製品の性質

pKa

pKₐ: 6.9 in 50% aq ethanol

名前と識別子

パブケム・シド

504763406

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763406

カノニカル・スマイル

CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C

IUPAC Name

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

InChIKey

DMUAPQTXSSNEDD-QALJCMCCSA-N

INCHI

1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1

異性体SMILES

CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)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)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C

RTECS

OH4730600

PubChem CID

5282169

分子量

814

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Macrolides and analogues Disaccharides O-glycosyl compounds Tricarboxylic acids and derivatives Oxanes Alpha-hydrogen aldehydes Tertiary alcohols 1,2-aminoalcohols Trialkylamines Amino acids and derivatives Carboxylic acid esters Secondary alcohols Lactones Acetals Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Disaccharide - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Oxane - Alpha-hydrogen aldehyde - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Aldehyde - Organonitrogen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in methanol, ethanol, acetone, chloroform, ethyl acetate, benzene, ethyl ether, and acidic water. Insoluble in n-hexane, petr ether, and water.
• 屈折率: n20D1.54
• 比旋光度［α］: α23/D -67°, c = 1 in ethanol
• 引火点（°F）: >110°(230°F)
• 沸点（°C）: 874° C
• 融点（°C）: 155-156° C
• 分子量: 814.000 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 14
• Exact Mass: 813.451 Da
• Monoisotopic Mass: 813.451 Da
• Topological Polar Surface Area: 206.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 16
• 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