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Plerixafor
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 110078-46-1 |
| Description | Plerixafor is a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM, respectively. |
Product Information
| Synonyms | Plerixafor; SDZ SID 791; Mozobil; JKL 169; JM 3100; JKL169; JM3100; JKL-169; JM-3100 |
| IUPAC Name | 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane |
| Molecular Weight | 502.78 |
| Molecular Formula | C28H54N8 |
| Canonical SMILES | C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3 |
| InChI | InChI=1S/C28H54N8/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 |
| InChIKey | YIQPUIGJQJDJOS-UHFFFAOYSA-N |
| Boiling Point | 657.5±55.0 °C at 760 mmHg |
| Melting Point | 122-125°C |
| Flash Point | 361.8±26.2 °C |
| Purity | >98% |
| Density | 1.0±0.1 g/cm3 |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | White to off-white (Solid) |
| Application | Anti-HIV Agents |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Animal Admin | Male C57bl/6 mice (6-7 weeks old, weighing 20 g) are used. The animals are acclimated to the housing environment, which is SPF and had a temperature of 22°C and a 12h/12h light/dark cycle for a week. Then, they are randomly divided into following experimental groups, with 8 mice in each group: normal (no specific intervention), UUO+AMD3100 (mice received UUO surgery and 2 mg/kg AMD3100), and UUO+PBS (mice received UUO surgery and the same volume of PBS). AMD3100 and PBS are administered via intraperitoneal injection every day until sacrifice. |
| Complexity | 456 |
| Exact Mass | 502.44714376 |
| Index Of Refraction | 1.492 |
| In Vitro | The CXCR4 inhibitor Plerixafor (AMD3100) is a potent inhibitor of CXCL12-mediated chemotaxis (IC50, 5.7 nM) with a potency slightly better than its affinity for CXCR4. Treating the cells with CCX771 or CXCL11 has no effect on CXCL12-mediated MOLT-4 or U937 TEM. In contrast, 10 μM Plerixafor inhibits CXCL12-mediated TEM in both cells lines. Plerixafor (10 μM)-treated cells show a moderate reduction in cell proliferation compared to CXCL12-stimulated cells, which do not reach statistical significance. |
| In Vivo | Plerixafor (2 mg/kg) administration to UUO mice exacerbates renal interstitial T cell infiltration, resulting in increased production of the pro-inflammatory cytokines IL-6 and IFN-γ and decreased expression of the anti-inflammatory cytokine IL-10. Both perivascular and interstitial fibrosis are significantly reduced by the CXCR4 antagonist, Plerixafor (AMD3100) at 8 weeks. LD50, mouse, SC: 16.3 mg/kg; LD50, rat, SC: >50 mg/kg; LD50, mouse and rat, IV injection: 5.2 mg/kg. |
| PSA | 78.66000 |
| Target | CXCR; HIV |
| Vapor Pressure | 0.0±2.0 mmHg at 25°C |
| XLogP3-AA | 0 |
