IT1t (dihydrochloride)

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

Product Specifications

CAS Number

[1092776-63-0]

UNSPSC

12352005

Target

CXCR; HIV

Type

Reference compound

Related Pathways

Anti-infection; GPCR/G Protein; Immunology/Inflammation

Applications

COVID-19-anti-virus

Field of Research

Inflammation/Immunology; Endocrinology; Cancer

Assay Protocol

https://www.medchemexpress.com/IT1t_dihydrochloride.html

Concentration

10mM

Purity

99.77

Solubility

DMSO : ≥ 30 mg/mL|H2O : 50 mg/mL (ultrasonic)

Smiles

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

Molecular Formula

C21H36Cl2N4S2

Molecular Weight

479.57

References & Citations

[1]Van Hout A, et al. Comparison of cell-based assays for the identification and evaluation of competitive CXCR4 inhibitors. PLoS One. 2017 Apr 14;12 (4) :e0176057.|[2]Wu B, et al. Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science. 2010 Nov 19;330 (6007) :1066-71.|[3]Tulotta C, et al. Inhibition of signaling between human CXCR4 and zebrafish ligands by the small molecule IT1timpairs the formation of triple-negative breast cancer early metastases in a zebrafish xenograft model. Dis Model Mech. 2016 Feb;9 (2) :141-53.