Ristocetin
Grundinformationen
- CAS
1404-55-3- Standard-SMILES
COC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@H](NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc4cc(O)c5C)[C@H](O)c4ccc(cc4)Oc4cc3cc(c4O[C@@H]3O[C@H](COC4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)Oc3ccc(cc3)[C@H]2O[C@@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)c2ccc(O)c(c2)-c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc21- InChIKey
VUOPFFVAZTUEGW-FBMDODLCSA-N- Summenformel
- C95H110N8O44
- Durchschnittliche Molmasse
- 2.067,9 g/mol
- Monoisotopische Masse
- 2.066,6615888
Überblick
Ristocetin is a heterodetic cyclic peptide that is produced by species of Amycolatopsis and Nocardia. It has a role as an antimicrobial agent, an antibacterial drug, a platelet-activating factor receptor agonist and a bacterial metabolite. It is a glycopeptide, a heterodetic cyclic peptide, a macrocycle and a tetrasaccharide derivative.
Namen und Bezeichner
- Bevorzugter Name
- Ristocetin
- IUPAC
- methyl (1S,2R,18R,19R,22R,34S,37R,40R,52S)-22-amino-2-[(2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-64-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-18,26,31,44,49-pentahydroxy-30-methyl-21,35,38,54,56,59-hexaoxo-47-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3(66),4,6(65),8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49-henicosaene-52-carboxylate
- Lokaler Name
- Ristocetin
- Englischer Name
- RISTOCETIN SULFATE SALT
- Summenformel
- C95H112N8O48S
- Molmasse
- 2166
Namen und Synonyme
RistocetinaRISTOCETINSpontin1404-55-3ZP3E6S00ILCHEBI:85129DTXSID30894853RistonristocetinumRefChem:179498DTXCID401324417215-770-5
Weitere Namen anzeigen
Aids181206Aids-181206RistocetinsRistomycinsRISTOCETIN ARISTOCETIN SULFATE
methyl (1S,2R,18R,19R,22R,34S,37R,40R,52S)-22-amino-2-((2S,4R,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-64-((2S,3R,4S,5S,6R)-3-((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-4,5-dihydroxy-6-(((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-18,26,31,44,49-pentahydroxy-30-methyl-21,35,38,54,56,59-hexaoxo-47-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo(38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51)hexahexaconta-3(66),4,6(65),8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49-henicosaene-52-carboxylateristocetineRistomycinUNII-ZP3E6S00ILRistocetina [INN-Spanish]Ristocetin [USP:INN:BAN]Ristocetin A (sulfate)EINECS 215-770-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -6,5
- Polarare Oberfläche (TPSA)
- 816 Ų
- H-Brücken-Donoren
- 29
- H-Brücken-Akzeptoren
- 46
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 147
- Formalladung
- 0
- Komplexität
- 4.410
Physikochemische Eigenschaften
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Solid
- Farbe
- White to off-white
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Other Safety InformationIMAP assessments - Ristocetin: Human health tier I assessment
Sicherheitsdaten
- F
- 8-10-23
- wgk
- 3
- RTECS-Nr.
- VJ8650000
- safety_code
- 22-24/25
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Anwendungen
VerwendenRistocetin Sulfate Salt can be used in biological study of surface mediated cooperative interactions of drugs enhance mechanical forces for antibiotic action.
Ergänzende Hinweise
DefinitionChEBI: A heterodetic cyclic peptide that is produced by species of Amycolatopsis and Nocardia.
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