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Submit ReviewIT1t dihydrochloride
Description: Potent CXCR4 antagonist
Chemical Name: N,N'-Dicyclohexylcarbamimidothioic acid (5,6-dihydro-6,6-dimethylimidazo[2,1-b]thiazol-3-yl)methyl ester dihydrochloride
Purity: ≥99% (HPLC)
Biological Activity for IT1t dihydrochloride
IT1t dihydrochloride is a 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).
Technical Data for IT1t dihydrochloride
| 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.
Tocris products are intended for laboratory research use only, unless stated otherwise.
Solubility Data for IT1t dihydrochloride
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| water | 47.96 | 100 | |
| DMSO | 4.8 | 10 |
Preparing Stock Solutions for IT1t dihydrochloride
The following data is based on the product molecular weight 479.57. 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 | 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 |
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Product Datasheets for IT1t dihydrochloride
References for IT1t dihydrochloride
References are publications that support the biological activity of the product.
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
If you know of a relevant reference for IT1t dihydrochloride, please let us know.
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Keywords: IT1t dihydrochloride, IT1t dihydrochloride supplier, CXCR4, antagonists, HIV, envelope, protein, gp120, chemokines, receptors, type, 4, Chemokine, CXC, Receptors, 4596, Tocris Bioscience
7 Citations for IT1t dihydrochloride
Citations are publications that use Tocris products. Selected citations for IT1t dihydrochloride include:
White et al (2020) CRISPR-Mediated Protein Tagging with Nanoluciferase to Investigate Native Chemokine Receptor Function and Conformational Changes. Cell Chem Bio PMID: 32053779
Mathias et al (2021) Cell surface thermal proteome profiling tracks perturbations and drug targets on the plasma membrane. Nat Methods 18 84-91 PMID: 33398190
Smith et al (2019) Control of TLR7-mediated type I IFN signaling in pDCs through CXCR4 engagement-A new target for lupus treatment. Sci Adv 5 eaav9019 PMID: 31309143
Yung-Chi et al (2019) Characterization, Dynamics, and Mechanism of CXCR4 Antagonists on a Constitutively Active Mutant. Cell Chem Biol 26 662-673.e7 PMID: 30827936
Martin J et al (2020) Kinetic Analysis of the Early Signaling Steps of the Human Chemokine Receptor CXCR4. Mol Pharmacol 98 72-87 PMID: 32474443
Ludger et al (2020) Microtiter plate-based antibody-competition assay to determine binding affinities and plasma/blood stability of CXCR4 ligands. Sci Rep 10 16036 PMID: 32994431
Martine J et al (2020) Monitoring Allosteric Interactions with CXCR4 Using NanoBiT Conjugated Nanobodies. Cell Chem Biol 27 1250-1261.e5 PMID: 32610042
Do you know of a great paper that uses IT1t dihydrochloride from Tocris? Please let us know.
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