Biological Activity
Potent CXCR4 antagonist (IC50 = 1.1 nM in calcium mobilization assays). Orally available. Blocks interaction with the HIV envelope protein, gp120 (IC50 = 7 nM, inhibition of X4-tropic HIV-1IIIB attachment).
Compound Libraries
IT1t dihydrochloride is also offered as part of the Tocriscreen Plus. Find out more about compound libraries available from Tocris.
Technical Data
| M. Wt | 479.57 |
| Formula | C21H34N4S2.2HCl |
| Storage | Store at +4°C |
| Purity | ≥99% (HPLC) |
| CAS Number | 1092776-63-0 |
| PubChem ID | 25178351 |
| InChI Key | HFXJOXOIINQOEB-UHFFFAOYSA-N |
| Smiles | CC1(C)CN(C(CS/C(NC4CCCCC4)=N/C3CCCCC3)=CS2)C2=N1.Cl.Cl |
The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.
All Tocris products are intended for laboratory research use only.
Solubility Data
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| water | 47.96 | 100 | |
| DMSO | 4.8 | 10 | |
| ethanol | 23.98 | 50 |
Preparing Stock Solutions
The following data is based on the product molecular weight 479.57. Batch specific molecular weights may vary from batch to batch due to solvent 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 | 2.09 mL | 10.43 mL | 20.85 mL |
| 5 mM | 0.42 mL | 2.09 mL | 4.17 mL |
| 10 mM | 0.21 mL | 1.04 mL | 2.09 mL |
| 50 mM | 0.04 mL | 0.21 mL | 0.42 mL |
Molarity Calculator
Reconstitution Calculator
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Product Datasheets
References
References are publications that support the products' biological activity.
Thoma et al (2008) Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo. J.Med.Chem. 51 7915 PMID: 19053768
Keywords: IT1t dihydrochloride, supplier, CXCR4, antagonists, HIV, envelope, protein, gp120, chemokines, receptors, type, 4, Antivirals, Chemokine, CXC, Receptors, Chemokine, CXC, Receptors, Tocris Bioscience
