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Submit ReviewKRH 3955 hydrochloride
Description: Highly potent CXCR4 antagonist; inhibits HIV-1 replication
Chemical Name: N1-[[4-[[(1H-Imidazol-2-ylmethyl)[(1-methyl-1H-imidazol-2-yl)methyl]amino]methyl]phenyl]methyl]-N1-methyl-N4,N4-dipropyl-1,4-butanediamine trihydrochloride
Purity: ≥98% (HPLC)
Biological Activity
Highly potent CXCR4 antagonist (IC50 = 0.61 nM). Displays selectivity for CXCR4 over a range of other CXC receptors. Inhibits replication of HIV-1 viruses in human PBMC (EC50 values are 0.33 to 1.4 nM). Supresses HIV-1 infection in mice. Orally bioavailable.
Technical Data
| M. Wt | 589.09 |
| Formula | C28H45N7.3HCl |
| Storage | Desiccate at RT |
| Purity | ≥98% (HPLC) |
| PubChem ID | 137919856 |
| InChI Key | KLPOLRXJKIOFIQ-UHFFFAOYSA-N |
| Smiles | CCCN(CCCCN(CC1=CC=C(C=C1)CN(CC2=NC=CN2C)CC3=NC=CN3)C)CCC.Cl.Cl.Cl |
The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.
Tocris products are intended for laboratory research use only, unless stated otherwise.
Solubility Data
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| water | 58.91 | 100 | |
| DMSO | 58.91 | 100 |
Preparing Stock Solutions
The following data is based on the product molecular weight 589.09. Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.7 mL | 8.49 mL | 16.98 mL |
| 5 mM | 0.34 mL | 1.7 mL | 3.4 mL |
| 10 mM | 0.17 mL | 0.85 mL | 1.7 mL |
| 50 mM | 0.03 mL | 0.17 mL | 0.34 mL |
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References
References are publications that support the biological activity of the product.
Murakami et al (2009) The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. Antimicrob.Agents Chemother. 53 2940 PMID: 19451305
Iwasaki et al (2009) Efficient inhibition of SDF-1α-mediated chemotaxis and HIV-1 infection by novel CXCR4 antagonists. Cancer Sci. 100 778 PMID: 19245436
If you know of a relevant reference for KRH 3955 hydrochloride, please let us know.
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