Estolato de eritromicina - ≥600 unidades/mg , Bacterial 70S ribosome inhibitor, CAS No.3521-62-8, Bacterial 70S ribosome inhibitor

CAS: 3521-62-8 Cat. No.: E303515 Fórmula: C₅₂H₉₇NO₁₈S Peso molecular: 1056.39 Número CE: 222-532-4

GRADE & PURITY ≥600 units/mg

Synonyms

ERYTHROMYCIN ESTOLATE (EP MONOGRAPH) | ERYTHROMYCIN, 2'-PROPANOATE, DODECYL SULPHATE (SALT) | Ery-Toxinal dodecylsulfate | HMS1921N13 | XRJ2P631HP | Erythromycin 2'-propionate dodecyl sulfate (salt) | ERYTHROMYCIN 2'-PROPIONATE DODECYL SULFATE (SALT). | E

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Specifications

Sinónimos

ERYTHROMYCIN ESTOLATE (EP MONOGRAPH) | ERYTHROMYCIN, 2'-PROPANOATE, DODECYL SULPHATE (SALT) | Ery-Toxinal dodecylsulfate | HMS1921N13 | XRJ2P631HP | Erythromycin 2'-propionate dodecyl sulfate (salt) | ERYTHROMYCIN 2'-PROPIONATE DODECYL SULFATE (SALT). | E

Especificações e pureza

≥600 unidades/mg

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

INHIBITOR

Mecanismo de ação

Bacterial 70S ribosome inhibitor

Nomes e identificadores

Pubchem Sid

508812427

Sorrisos canónicos

CCCCCCCCCCCCOS(=O)(=O)O.CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O

IUPAC Name

[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate;dodecyl hydrogen sulfate

InChIKey

AWMFUEJKWXESNL-JZBHMOKNSA-N

INCHI

1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1

SMILES isoméricas

CCCCCCCCCCCCOS(=O)(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O

Peso molecular

1056.39

Reaxy-Rn

28936359

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28936359&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid monoesters
• Alternative Parents: Dicarboxylic acids and derivatives Alkyl sulfates Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Dicarboxylic acid or derivatives - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).
• 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

Alvos associados (humanos)

Homo sapiens (32628 Activities)

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Liver (3974 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Plasma (328 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Freely soluble in organic solvents, practically insoluble in water
• Sensibilidade: Light sensitive
• Ponto de fusão (°C): 135-140°C
• Peso molecular: 1056.400 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 22
• Exact Mass: 1055.64 Da
• Monoisotopic Mass: 1055.64 Da
• Topological Polar Surface Area: 272.000 Ų
• Heavy Atom Count: 72
• Formal Charge: 0
• Complexity: 1550.000
• 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: 2

XLogP3