1. GPCR/G Protein
    Immunology/Inflammation
  2. CXCR

IT1t dihydrochloride 

Cat. No.: HY-101458A Purity: 98.09%
Handling Instructions

IT1t dihydrochloride is a potent CXCR4 antagonist; inhibits CXCL12/CXCR4 interaction with an IC50 of 2.1 nM.

For research use only. We do not sell to patients.
IT1t dihydrochloride Chemical Structure

IT1t dihydrochloride Chemical Structure

CAS No. : 1092776-63-0

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Free Sample (0.5-1 mg)   Apply now  
10 mM * 1 mL in DMSO USD 112 In-stock
5 mg USD 102 In-stock
10 mg USD 180 In-stock
25 mg USD 360 In-stock
50 mg USD 648 In-stock
100 mg USD 1128 In-stock
200 mg   Get quote  
500 mg   Get quote  

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Customer Review

Other Forms of IT1t dihydrochloride:

  • Biological Activity

  • Protocol

  • Technical Information

  • Purity & Documentation

  • References

Description

IT1t dihydrochloride is a potent CXCR4 antagonist; inhibits CXCL12/CXCR4 interaction with an IC50 of 2.1 nM.

IC50 & Target

IC50: 2.1 nM (CXCL12/CXCR4 interaction)[1]

In Vitro

The CXCR4 is involved in chemotaxis and serves as a coreceptor for T-tropic HIV-1 viral entry and in cancer metastasis. IT1t is a small, drug-like, isothiourea derivative. IT1t shows very potent and dose-dependent inhibition of the CXCL12/CXCR4 interaction with an IC50 of 2.1 nM. This calcium flux is also inhibited by IT1t with an IC50 of 23.1[1]. Strong electron density is observed for IT1t in the binding cavity of both subunits of the CXCR4 homodimer. In dimers of CXCR4 bound to IT1t, the monomers interact only at the extracellular side of helices V and VI, leaving at least a 4 Å gap between the intracellular regions, which is presumably filled by lipids. The IT1t compound and CVX15 peptide have both been characterized as competitive inhibitors of CXCL12, and many of the receptor-ligand contacts in the co-crystal structures presented are important for CXCL12 binding, including the acidic Asp187, Glu2887.39 and Asp972.63. The binding site of IT1t may point to the major anchor region for this domain[2].

In Vivo

IT1t reduces the formation of TNBC early metastases in the zebrafish xenograft model. Tumor cell invasion at the metastatic site is effectively reduced upon CXCR4 silencing (Fig. 7B), similar to the antagonist IT1t [3].

References
Preparing Stock Solutions
Concentration Volume Mass 1 mg 5 mg 10 mg
1 mM 2.0852 mL 10.4260 mL 20.8520 mL
5 mM 0.4170 mL 2.0852 mL 4.1704 mL
10 mM 0.2085 mL 1.0426 mL 2.0852 mL
Please refer to the solubility information to select the appropriate solvent.
Cell Assay
[1]

Jurkat cells are incubated with serial dilutions (0.001, 0.01, 0.1, 1, 10, 100, 1000 μM) of IT1t at room temperature for two hours. Cytotoxicity of IT1t is also evaluated at 37°C over a longer period of time in MT-4 cells and PHA-stimulated PBMCs (ten day incubation) because these cell types are used in anti-HIV activity assays which last up to ten days. Cytotoxicity is evaluated microscopically and viability is assessed using the a kit[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

References
Molecular Weight

479.57

Formula

C₂₁H₃₆Cl₂N₄S₂

CAS No.

1092776-63-0

SMILES

CC1(C)CN2C(CS/C(NC3CCCCC3)=N\C4CCCCC4)=CSC2=N1.[H]Cl.[H]Cl

Storage
Powder -20°C 3 years
  4°C 2 years
In solvent -80°C 6 months
  -20°C 1 month
Shipping

Room temperature in continental US; may vary elsewhere

Solvent & Solubility

DMSO: ≥ 30 mg/mL

* "<1 mg/mL" means slightly soluble or insoluble. "≥" means soluble, but saturation unknown.

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Product Name:
IT1t dihydrochloride
Cat. No.:
HY-101458A
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