Erythromycin ethyl succinate , CAS No.1264-62-6

CAS: 1264-62-6 Cat. No.: E488297 Peso molecular: 862.05 Número EC: 215-033-8

Synonyms

ERYTHROMYCIN (AS ETHYL SUCCINATE) | Erythromycin, 2'-(ethyl butanedioate) | DivK1c_000764 | Erythromycin, mono(ethyl succinate) (ester) | E.E.S. 200 | HMS2091D03 | MLS001076672 | 1014KSJ86F | E.E.S | ERYTHROMYCIN ETHYL SUCCINATE [MART.] | MLS001074901 | U

Storage

Room temperature

Descripción general

Description

Chemical structure: macrolideErythromycin ethyl succinate is used to study erythromycin-resistantStreptococcus pyogenesandStreptococcus pneumoniae. It has been used to study down-regulation of motilin receptors on rabbit colon myocytes and lethal mutations in outer membrane genes omsA and firA inSalmonella typhimurium.

Specifications

Sinónimos

ERYTHROMYCIN (AS ETHYL SUCCINATE) | Erythromycin, 2'-(ethyl butanedioate) | DivK1c_000764 | Erythromycin, mono(ethyl succinate) (ester) | E.E.S. 200 | HMS2091D03 | MLS001076672 | 1014KSJ86F | E.E.S | ERYTHROMYCIN ETHYL SUCCINATE [MART.] | MLS001074901 | U

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 3.4

Nombres e identificadores

• Sonrisas canónicas: 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)CCC(=O)OCC)(C)O)C)C)O)(C)O
• IUPAC Name: 4-O-[(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] 1-O-ethyl butanedioate
• InChIKey: NSYZCCDSJNWWJL-YXOIYICCSA-N
• INCHI: 1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1
• Isómeros SMILES: 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)CCC(=O)OCC)(C)O)C)C)O)(C)O
• WGK Alemania: 2
• RTECS: WM9800000
• Peso molecular: 862.05
• Reaxy-Rn: 28936360
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28936360&ln=

Objetivos asociados (humanos)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Streptococcus (3973 Activities)

Explore this target

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Streptococcus sp. 'group A' (3417 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

ska Streptokinase A (5805 Activities)

Discover Target: ska

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: ethanol: 50mg/mL
• Peso molecular: 862.100 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 14
• Exact Mass: 861.509 Da
• Monoisotopic Mass: 861.509 Da
• Topological Polar Surface Area: 226.000 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 1450.000
• 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: 1

Referencias

1. Pengcheng Xing, Di Wu, Jingshuai Chen, Jiming Song, Changjie Mao, Yuanhao Gao, Helin Niu.  (2019)  A Cd-MOF as a fluorescent probe for highly selective, sensitive and stable detection of antibiotics in water.  ANALYST,  144  (8): (2656-2661).  [PMID:30843538] [10.1039/C8AN02442A]