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IT1t

Catalog No. T11693 CAS 864677-55-4

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

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IT1t, CAS 864677-55-4

Pack Size	Availability	Price/USD
25 mg	6-8 weeks	$ 1,520.00
50 mg	6-8 weeks	$ 1,980.00
100 mg	6-8 weeks	$ 2,500.00

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This compound is a customized synthesis product. We have a strong synthesis team with excellent synthesis technology and capabilities. However, due to various objective factors, there is a low probability that the synthesis will not be successful. If you need to learn more, please feel free to consult us, we will serve you wholeheartedly.

Biological Description

Chemical Properties

Storage & Solubility Information

Description	IT1t inhibits CXCL12/CXCR4 interaction with an IC50 of 2.1 nM. is a potent CXCR4 antagonist.
Targets&IC50	HIV-1 (X4):14.2 nM (in MT-4 cells), HIV-1 (X4):19 nM (in PBMCs), CXCL12-CXCR4:2.1 nM
In vitro	IT1t, a drug-like isothiourea derivative, exhibits potent, dose-dependent inhibition of the CXCL12/CXCR4 interaction, boasting an IC50 value of 2.1 nM, and similarly impedes calcium flux with an IC50 of 23.1 nM. Notably, IT1t demonstrates strong electron density within the binding cavity of the CXCR4 homodimer's both subunits. Its binding mode in CXCR4 dimers reveals interactions solely on the extracellular sides of helices V and VI, maintaining a minimal 4 Å gap between the intracellular regions, likely occupied by lipids. Both IT1t and the CVX15 peptide act as competitive inhibitors against CXCL12, sharing several crucial receptor-ligand contacts for CXCL12 binding, such as Asp187, Glu288 (7.39), and Asp972 (2.63), suggesting these areas as essential for binding. IT1t's interaction site indicates a significant anchor point within this domain. CXCR4 plays a critical role in chemotaxis, functions as a coreceptor for T-tropic HIV-1 entry, and is implicated in cancer metastasis.
In vivo	IT1t effectively diminishes the development of early metastases in triple-negative breast cancer (TNBC) within the zebrafish xenograft model. Similarly, targeting CXCR4 to silence its expression markedly reduces tumor cell invasion at the metastatic site, akin to the results observed with the antagonist IT1t.

Molecular Weight	406.65
Formula	C21H34N4S2
CAS No.	864677-55-4

Storage

Powder: -20°C for 3 years | In solvent: -80°C for 1 year

References and Literature

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.

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Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO (Master liquid concentration mg/mL)，Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation：Take μL DMSO master liquid, next add μL PEG300， mix and clarify, next add μL Tween 80，mix and clarify, next add μL ddH₂O, mix and clarify.

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Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc.

Keywords

IT1t 864677-55-4 Others IT-1t inhibitor inhibit

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