
CAS Number155148-31-5
SynonymsBicyclam; Plerixafor 8HCl; AMD 3100 octahydrochloride; 1,1'-[1,4-Phenylenebis-(methylene)]-bis-(1,4,8,11-tetraazacyclotetradecane)octahydrochloride; 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate; Plerixafor; Plerixafor octahydrochloride; AMD3100 8HCl; Plerixafor (octahydrochloride)
Molecular FormulaC28H62Cl8N8
Molecular Weight794.47 (anhydrous basis)
Purity≥97 (NMR)%
Density0.962g/cm3
Boiling Point657.5ºC at 760mmHg
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 155148-31-5 |
| Catalog No. | 2A-1174952 |
| Chinese Name | 盐酸普乐沙福 |
| Synonyms | Bicyclam; Plerixafor 8HCl; AMD 3100 octahydrochloride; 1,1'-[1,4-Phenylenebis-(methylene)]-bis-(1,4,8,11-tetraazacyclotetradecane)octahydrochloride; 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate; Plerixafor; Plerixafor octahydrochloride; AMD3100 8HCl; Plerixafor (octahydrochloride) |
| Molecular Formula | C28H62Cl8N8 |
| Molecular Weight | 794.47 (anhydrous basis) |
| Purity | ≥97 (NMR) |
| Density | 0.962g/cm3 |
| Boiling Point | 657.5ºC at 760mmHg |
| Appearance | solid |
| Water Solubility | H2O: ≥10 mg/mL, clear |
| Storage Condition | −20°C |
| Application | Plerixafor octahydrochloride is a selective CXCR4 antagonist with an IC50 of 44 nM. |
| PubChem ID | 24724394 |
| MDL Number | MFCD29072959 |
| SMILES | Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].[H]O[H].C1CNCCNCCCN(CCNC1)Cc2ccc(CN3CCCNCCNCCCNCC3)cc2 |
| InChI | 1S/C28H54N8.8ClH.H2O/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,1-4,9-26H2;8*1H;1H2 |
| InChI Key | GKFHDCZYJHUPEN-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| MSDS | msds/175344_1_155148_31_5.pdf |
| Transport Info | Product name: Plerixafor 8HCl (AMD3100 8HCl) |
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