HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 40486Erstellt: 4. November 2026
5-(Methylamino)-2-((3,9,11-trime-thyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-4-benzoxazolcarbonsäure, (6S-(6 alpha(2S*,3S*), 8 beta(R*),9 beta, 11 alpha))-
SBE-β-CD · CALCIMYCIN · CALCIUM IONOPHORE A23187 · A23187, 98%, FREE ACID · 5-(Methylamino)-2-[[(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)-ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-4-benzoxazolecarboxylic acid · 11B1 · A23187 · (R*),9B2
https://huagongshe.com/de/chemical/40486
Identifikatoren & physikalische Daten
| CAS No. | 52665-69-7 |
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| Summenformel | C29H37N3O6 |
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| Durchschnittliche Molmasse | 523,6 g/mol |
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| Monoisotopische Masse | 523,26823591 g/mol |
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| SMILES | CNc1ccc2oc(C[C@@H]3OC4(CC[C@@H]3C)O[C@H](C(C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O |
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| InChIKey | HIYAVKIYRIFSCZ-CVXKHCKVSA-N |
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| PubChem CID | 40486 |
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| ChEMBL | CHEMBL1434752 |
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| ChEBI | CHEBI:3305 |
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| Lokaler Name | 5-(Methylamino)-2-((3,9,11-trime-thyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-4-benzoxazolcarbonsäure, (6S-(6 alpha(2S*,3S*), 8 beta(R*),9 beta, 11 alpha))- |
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Chemische & physikalische Eigenschaften
| XLogP | 5,9 |
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| Polarare Oberfläche (TPSA) | 127 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 38 |
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| Formalladung | 0 |
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| Komplexität | 873 |
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| Arzneimittel | Pharmaceuticals -> Antibiotics |
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| Schmelzpunkt | 187-190 °C |
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| Siedepunkt | 710.3±55.0 °C(Predicted) |
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| Dichte | 1.28±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Soluble in DMSO with warming or sonication. Also soluble in ethanol or ethyl acetate |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | pKa1 6.9 in 90% DMSO |
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| Farbe | white to light yellow |
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| Merck | 13,1639 |
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| BRN | 1096801 |
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| Stabilität | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 4 months. |
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| InChIKey | HIYAVKIYRIFSCZ-CYEMHPAKSA-N |
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| SMILES | [H][C@@]1(O[C@@]2(CC[C@@H](C)[C@@H](Cc3nc4c(C(O)=O)c(NC)ccc4o3)O2)[C@H](C)C[C@H]1C)[C@H](C)C(=O)c5ccc[nH]5 |
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Sicherheit & Vorschriften
| F | 8 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29349990 |
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| RTECS-Nr. | DM4676000 |
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| R-Sätze (R) | 36/37/38-20/21/22 |
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| Toxizität | LD50 i.p. in mice: 10 mg/kg (Gale) |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
A23187 (Mixed Calcium-Magnesium Salt) is used in cell activation experiments when calcium dose-response data are not required. Ca-Mg ratio ~ 1:1. it is widely used as a compound in cell activation. It is used as a highly selective Ca2+ ionophore. it is used in studies of intracellular Ca2+ mediated events. A23187 has been observed to induce cell activation, differentiation or proliferation. In vitro experimentation has shown A23187 to boost ROS generation and platelet fragmentation. A23187 is a widely used ionophore. It has the ability to increase the intracellular concentrations of cations and is widely used to increase the intracellular levels of calcium. Visualization of Synaptic Ca2+ Calmodulin-Dependent Protein Kinase II Activity in Living Neurons.