HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
JM 3100
AMD3100 · Plerixafor hydrochloride · SID791 · JM3100 · CS-907 · Bicyclam · BISCYCLAM · AMD3100 HCl
Identifikatoren & physikalische Daten
| CAS No. | 155148-31-5 |
|---|---|
| Summenformel | C28H62Cl8N8 |
| Durchschnittliche Molmasse | 794,5 g/mol |
| Monoisotopische Masse | 790,260566 g/mol |
| SMILES | Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1 |
| InChIKey | UEUPDYPUTTUXLJ-UHFFFAOYSA-N |
| PubChem CID | 65014 |
| ChEMBL | CHEMBL2311028 |
| DTXSID | DTXSID20935148 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 78,7 |
|---|---|
| H-Brücken-Donoren | 14 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 44 |
| Formalladung | 0 |
| Komplexität | 456 |
| Schmelzpunkt | 188 - 193°C (dec.) |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | H2O: ≥10 mg/mL, clearSoluble in water (100mM) |
| Aggregatzustand | solid |
| Farbe | White |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in distilled water may be stored at -20°C for up to 2 months. |
| InChI | 1S/C28H54N8.8ClH/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H28*1H |
| InChIKey | UEUPDYPUTTUXLJ-UHFFFAOYSA-N |
| SMILES | N1(CCNCCCNCCNCCC1)CC1C=CC(=CC=1)CN1CCNCCCNCCNCCC1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Plerixafor 8HCl (AMD3100 8HCl) is the hydrochloride of Plerixafor, a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM, respectively - See more at: http://www.selleckchem.com/products/plerixafor-8hcl-db06