Midecamycin - 10mM in DMSO , CAS No.35457-80-8

CAS: 35457-80-8 Cat. No.: M423587 Summenformel: C₄₁H₆₇NO₁₅ Molekulargewicht: 814 EG-Nummer: 252-578-0 PubChem CID: 5282169

QUALITÄT & REINHEIT 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Midecamycin, an acetoxy-substituted macrolide antibiotic, is tested against gram-positive and gram-negative bacteria.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

pKa

pKₐ: 6.9 in 50% aq ethanol

Namen und Kennungen

Pubchem Sid

528776682

Kanonisches Lächeln

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

Isomere 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

Molekulargewicht

814

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Aminosaccharides
          • Ebene6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Staphylococcus aureus (210822 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.54
• Spezifische Drehung [α]: α23/D -67°, c = 1 in ethanol
• Flammpunkt (°F): >110°(230°F)
• Siedepunkt (°C): 874° C
• Schmelzpunkt (°C): 155-156° C
• Molekulargewicht: 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